data_2dun_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 2dun _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -58.66 -41.17 85.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.7 m-85 -125.26 81.69 63.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -37.8 8.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.5 -32.55 38.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -102.98 114.57 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.37 114.44 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.0 mt -93.55 133.9 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 25.3 t80 -131.38 135.87 47.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 1.2 mt -101.86 165.78 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -108.31 142.67 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.538 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.4 mt-10 -70.88 -57.27 5.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.2 Cg_endo -69.73 5.37 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.392 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 10.0 tpp180 -123.86 -31.55 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 ttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ARG . 34.2 ttp180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.802 0.335 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ARG . 8.2 ttp85 -38.29 -53.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.97 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -39.81 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.4 mt -67.22 -45.68 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.411 HG21 ' CG1' ' A' ' 42' ' ' VAL . 97.3 m -41.37 -52.06 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.33 -44.61 21.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.1 tp -49.52 -56.21 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.97 22.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -42.68 -42.03 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 m -65.68 -37.15 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -68.04 -53.8 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.19 34.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -122.61 142.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -92.28 115.67 28.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG1' HG21 ' A' ' 32' ' ' THR . 90.8 t -95.83 125.91 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.62 131.25 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.71 -57.45 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.21 144.01 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -49.62 115.46 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -134.18 151.79 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -44.39 -36.71 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.99 -40.22 57.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.22 114.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.486 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 36.3 p -108.09 -36.29 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.486 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 28.9 m80 -126.76 131.47 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.0 t -109.31 130.21 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.425 ' HB ' ' CD2' ' A' ' 18' ' ' LEU . 88.0 t -98.48 117.44 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.3 mtt -122.51 135.25 54.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -106.87 131.33 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 59.84 46.86 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.3 m -119.69 134.67 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -76.79 151.66 35.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.08 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.4 pt-20 -78.89 -49.37 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 8.6 mm-40 -39.15 -51.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -46.49 -54.06 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.1 t -48.5 -49.54 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -47.21 -44.87 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.464 ' NE1' HG12 ' A' ' 19' ' ' VAL . 45.5 t90 -75.13 -23.72 57.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -71.27 -34.94 71.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.4 -44.21 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -49.12 -37.01 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 4.3 mmm180 -61.61 -60.43 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.2 mmt -53.98 -21.38 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -43.11 54.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.94 19.91 18.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.16 148.68 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 159.61 52.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.71 63.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.75 -29.67 3.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.45 123.65 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 87.5 m -78.54 138.32 58.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.78 144.47 54.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.3 47.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.75 114.48 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.78 120.7 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 107' ' ' LEU . 6.3 mt -126.71 177.32 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' CG ' HD21 ' A' ' 107' ' ' LEU . 27.0 m-20 -106.54 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.81 -33.37 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 t -47.7 -48.94 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.83 -55.43 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' SER . 33.9 tp -51.72 -64.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 p -41.01 -52.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.75 -35.1 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . 24.9 m -69.59 -51.8 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -53.71 -49.12 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.05 -21.09 67.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.05 -13.65 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.09 15.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.27 152.35 78.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.4 Cg_endo -69.71 108.27 2.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.1 m -67.65 153.01 95.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.19 7.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.8 t -46.66 152.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -141.66 159.78 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.4 -55.72 2.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -49.64 -41.33 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.21 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -48.46 129.93 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 84' ' ' LEU . 8.7 mt -107.18 96.46 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -145.71 162.78 36.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.56 169.96 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.09 136.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.27 65.98 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -54.26 -49.0 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.2 m-85 -121.95 82.53 43.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -30.25 22.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.0 -33.54 69.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 ' CG2' ' CE1' ' A' ' 52' ' ' HIS . 1.3 p -102.18 114.59 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.99 112.81 24.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.6 mt -90.87 154.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 45' ' ' ALA . 69.8 t80 -134.12 143.47 47.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.452 ' CD1' ' HG3' ' A' ' 28' ' ' ARG . 12.7 mt -115.32 141.16 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 2.7 t -80.42 160.82 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 mm-40 -87.02 -68.69 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.1 Cg_endo -69.8 -52.0 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 2.6 mmp_? -48.86 -61.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.0 mmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 52.5 ttt-85 -54.78 -60.17 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.48 -56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -40.49 -55.67 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 65.2 mt -63.29 -47.95 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 86.9 m -37.69 -65.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.31 -45.28 95.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -53.31 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -41.55 -66.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 95.8 mtt180 -37.18 -45.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 30.8 mmtm -62.6 -49.57 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.03 33.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -130.96 128.76 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -84.62 116.05 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.09 130.15 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -91.78 143.51 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.08 22.86 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -170.77 -178.58 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.45 82.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.8 m -113.45 177.24 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 p -48.53 -40.98 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -46.97 -43.59 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.56 113.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.763 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 63.0 p -98.6 -29.85 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.763 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 11.7 m80 -139.36 150.3 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 t -124.39 131.02 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.77 129.18 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.454 ' CE ' ' CE3' ' A' ' 66' ' ' TRP . 6.3 mtt -137.47 130.89 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.91 144.42 26.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 50.76 38.79 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.3 m -119.49 136.32 54.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.2 p -88.91 178.12 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.36 -47.01 77.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.7 pt-20 -66.68 -52.08 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 30.0 tt0 -46.26 -51.22 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.405 ' C ' HD11 ' A' ' 83' ' ' LEU . . . -47.22 -60.6 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.7 t -46.82 -46.52 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -53.48 -53.91 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.454 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 27.2 t90 -65.47 -28.19 69.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -68.7 -39.92 80.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -65.41 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.47 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 20.5 mtt-85 -66.8 -56.01 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 mmm -41.78 -29.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.95 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.64 8.36 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.89 157.53 88.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.1 35.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.9 22.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -14.75 64.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -64.55 135.43 55.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 92.8 m -104.86 139.07 19.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 111.157 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.72 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.14 110.5 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LEU . 44.5 mt -69.71 116.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 107' ' ' LEU . 10.2 mt -120.22 171.17 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' ILE . 38.8 t70 -107.5 149.72 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.435 HG13 ' CG2' ' A' ' 90' ' ' THR . 4.2 tp -36.24 -35.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -42.1 -48.37 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.92 -55.63 31.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' SER . 21.0 tp -55.2 -62.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.435 ' CG2' HG13 ' A' ' 86' ' ' ILE . 12.8 p -37.47 -55.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.75 -33.95 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 89' ' ' LEU . 50.8 m -71.06 -45.43 63.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.5 -57.02 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.01 -14.48 38.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.51 -15.49 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.06 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -134.32 152.25 77.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.552 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.63 150.9 96.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 99.19 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.51 147.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -120.41 168.33 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.1 -37.07 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -67.91 -53.09 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -43.3 144.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 83' ' ' LEU . 13.9 mt -115.96 98.49 6.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.07 153.89 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.8 p -128.71 167.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -170.24 115.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.68 59.84 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -49.25 -43.35 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 25.0 m-85 -117.46 82.76 15.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.89 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.84 -31.61 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.485 ' CG2' ' CE1' ' A' ' 52' ' ' HIS . 12.3 p -93.63 107.74 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.02 110.73 18.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.6 mt -92.45 137.68 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -116.76 126.2 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.71 126.59 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' GLU . 18.8 t -80.06 98.43 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.0 mt-10 -34.51 -60.07 0.54 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.2 Cg_endo -69.76 143.36 50.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 59.78 42.31 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -39.65 -48.61 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.25 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' A' ' 34' ' ' LEU . 21.2 t80 -40.62 -50.48 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.04 -43.77 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.1 m -40.64 -62.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.02 -41.14 72.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.478 HD22 ' CE1' ' A' ' 30' ' ' PHE . 28.7 tp -47.91 -57.72 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.16 -58.75 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.043 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -43.97 -42.15 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -64.76 -38.98 92.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -67.29 -54.98 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.04 34.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -119.48 139.86 51.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -83.43 110.06 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -93.97 125.62 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.5 127.01 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.12 -49.91 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.08 162.88 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.3 118.51 6.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -139.0 153.95 48.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 p -49.94 -27.81 5.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -56.92 -40.52 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.58 108.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.893 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.7 p -95.26 -47.01 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.893 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 6.9 m80 -124.6 143.01 50.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 54' ' ' VAL . 94.6 t -115.74 138.35 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.452 ' N ' HG13 ' A' ' 53' ' ' VAL . 60.6 t -105.89 124.91 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.3 mtt -128.5 117.45 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.41 140.4 29.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 46.13 46.99 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.2 m -121.1 131.69 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -69.35 158.99 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.48 90.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.8 -42.57 49.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -53.51 -44.85 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.91 65.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.65 -50.88 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -49.42 -63.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -43.57 -40.53 4.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' NE2' ' HD2' ' A' ' 81' ' ' PRO . 7.5 tp-100 -67.15 -51.71 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ARG . 54.1 mm-40 -38.1 -48.99 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' GLU . 8.4 mmm180 -36.42 -47.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.9 mtp180 -62.56 -59.54 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.44 -34.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.61 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.91 24.76 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -106.71 151.86 40.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.31 57.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.22 25.08 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 -29.66 12.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.8 p -55.44 126.48 25.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.8 m -98.65 130.84 27.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.707 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD2' ' NE2' ' A' ' 67' ' ' GLN . 53.1 Cg_endo -69.77 172.31 12.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 111.85 20.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -76.04 106.39 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 101' ' ' VAL . 47.6 mt -112.11 174.23 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -108.07 155.42 20.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.5 tp -45.53 -22.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -58.32 -43.78 88.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.99 -54.18 38.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.4 tp -50.75 -61.67 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -46.66 -43.96 18.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.03 -41.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -68.18 -47.65 67.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.51 -51.14 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -14.16 46.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.02 -12.87 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.82 -12.73 21.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -132.66 152.48 80.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.41 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.82 108.85 2.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.68 152.6 95.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 93.74 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 84' ' ' LEU . 5.4 p -40.08 148.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 101' ' ' VAL . 72.3 mt-10 -130.74 169.18 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 88.1 m -49.57 -49.82 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -49.58 -42.23 43.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -67.35 -43.13 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -53.41 132.8 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 46.9 mt -102.75 95.89 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.77 154.09 43.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 11.7 p -123.04 167.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 109' ' ' VAL . . . -175.03 131.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 53.63 63.11 5.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -52.21 -47.09 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -122.17 83.69 45.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.45 28.7 13.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.3 119.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.47 116.39 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 17' ' ' TYR . 28.6 mt -107.64 139.81 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.455 ' N ' HG21 ' A' ' 16' ' ' ILE . 19.4 t80 -120.67 124.47 45.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.08 130.41 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 22' ' ' ARG . 2.9 t -62.85 149.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.609 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.5 mm-40 -87.46 -68.87 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.71 -51.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 20.9 tpp180 -46.17 -24.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 mtm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.56 -57.94 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.26 -47.27 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -44.36 -65.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.46 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -40.66 -62.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.57 -49.73 75.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' CD2' HD12 ' A' ' 93' ' ' LEU . 15.2 tp -47.5 -58.61 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.941 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -45.9 -65.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 80.9 mtt180 -37.52 -38.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -72.12 -45.87 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' ALA . 21.7 mmtp -58.54 -42.2 87.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.26 26.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -109.11 143.87 37.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -90.2 115.71 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.0 t -99.85 132.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.43 148.18 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -43.93 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.44 169.18 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.21 146.46 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -172.62 -178.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -82.1 -12.3 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.61 -31.86 69.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 107.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.562 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 3.0 p -113.75 -26.84 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.562 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 1.5 m80 -144.79 109.29 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -96.9 122.2 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 55' ' ' MET . 33.8 t -93.28 141.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.432 ' N ' HG12 ' A' ' 54' ' ' VAL . 15.5 mtt -140.72 166.62 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 21.8 mt-10 -133.94 145.87 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 9.2 pt-20 42.87 36.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.1 m -112.42 120.19 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -178.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.57 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.76 -37.52 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.16 -33.25 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.3 -50.83 50.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.6 t -61.35 -30.2 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -75.64 -33.57 60.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CH2' ' NE ' ' A' ' 70' ' ' ARG . 11.2 t90 -75.13 -25.59 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.3 -20.53 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.76 -52.39 60.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -46.45 -31.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' CH2' ' A' ' 66' ' ' TRP . 23.6 mtt-85 -77.34 -63.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mmt -47.14 -21.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.06 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.72 10.77 40.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.37 155.37 71.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.697 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 154.44 67.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.316 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 136.89 34.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 -21.7 43.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.2 t -62.07 125.08 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 90.2 m -78.0 138.41 61.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.595 0.712 . . . . 0.0 111.166 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.7 128.71 16.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 137.48 35.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.26 106.13 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 107' ' ' LEU . 15.3 mt -71.63 110.66 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 39.4 mt -109.95 171.34 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -105.91 156.74 18.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tp -45.77 -25.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.8 m -58.7 -42.04 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -64.01 -42.1 97.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.38 -55.39 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.2 p -51.71 -27.78 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -71.92 -44.38 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m -73.79 -37.58 64.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 34' ' ' LEU . 74.9 mt -62.26 -45.82 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.9 -9.13 87.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.07 -14.29 14.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.77 -16.98 9.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -128.69 151.93 77.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 108.34 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -70.48 151.79 95.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.73 13.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t -42.47 139.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -116.8 160.52 20.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.51 -26.2 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -82.64 -29.91 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.3 -48.52 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -42.82 135.51 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 13.3 mt -119.26 96.79 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 10.1 tm-20 -152.27 154.9 36.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' CD ' ' A' ' 108' ' ' GLU . 9.9 p -117.88 169.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -174.37 109.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.24 71.41 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -51.18 -46.59 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.499 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 19.6 m-85 -119.96 83.51 30.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.62 16.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.97 30.46 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -148.67 111.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.96 111.96 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.405 ' CG2' HG21 ' A' ' 54' ' ' VAL . 58.6 mt -100.89 135.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -118.4 131.52 56.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.09 136.99 36.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 11.1 t -73.95 158.34 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.612 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.1 mt-10 -87.39 -68.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.74 -51.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 36.8 mmt-85 -52.23 -52.7 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 mtp-105 -50.31 -62.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -50.95 15.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -38.78 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.99 -45.75 90.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.6 m -37.92 -53.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.81 -41.25 56.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.04 -60.59 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.28 -58.9 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -43.72 -40.94 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -68.05 -37.01 80.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -67.04 -59.85 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.25 34.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -119.92 145.82 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -91.88 112.76 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.54 129.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 mt -97.1 142.84 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.05 -34.63 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.91 167.43 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.3 t -69.46 101.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.7 m -120.64 46.85 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.1 p 42.42 36.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -120.8 -35.4 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.47 104.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.482 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 20.6 p -101.61 -24.1 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.482 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 4.7 m80 -138.63 118.72 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.76 132.12 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.405 HG21 ' CG2' ' A' ' 16' ' ' ILE . 62.2 t -102.44 117.24 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.3 mtt -127.04 132.5 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -119.65 139.07 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 60.15 52.55 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 59' ' ' SER . 87.5 m -140.27 143.28 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 58' ' ' THR . 33.1 m -75.67 172.29 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.24 80.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -48.03 28.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -43.88 -48.89 8.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.78 -51.81 36.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.19 -41.63 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -55.53 -56.8 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -56.44 -33.1 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.05 -37.58 87.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.19 -41.58 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -46.86 -42.05 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' ALA . 8.7 mmp_? -61.58 -62.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -32.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.52 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.04 27.19 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -98.68 153.08 38.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.73 26.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.389 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.64 19.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.38 20.57 74.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.38 157.0 38.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.8 m -111.89 132.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.72 8.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.17 13.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.44 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' LEU . 69.4 mt -70.67 97.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -109.82 170.73 7.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.81 159.64 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 tp -45.82 -34.4 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -46.29 -37.31 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -70.11 -40.82 74.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.1 tp -69.17 -57.48 5.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.2 p -47.93 -28.45 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -83.64 -35.19 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -71.32 -35.88 71.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.64 -54.74 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.45 -12.48 39.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.12 -19.89 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.44 -13.75 32.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -131.73 152.12 79.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.499 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.58 150.29 95.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.578 0.704 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 91.95 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.283 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 102' ' ' GLU . 7.5 p -35.09 142.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.445 ' N ' HG21 ' A' ' 101' ' ' VAL . 45.9 mt-10 -116.97 171.34 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.0 p -61.04 -20.42 62.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -79.13 -41.59 28.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -64.41 -43.07 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -52.06 159.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' LEU . 10.1 mt -120.33 127.63 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -174.19 153.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.1 p -120.05 162.75 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -169.87 128.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 112' ' ' PRO . . . 61.67 54.45 35.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -49.49 -45.98 47.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.522 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 3.4 m-85 -130.59 86.59 52.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.48 32.49 6.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -149.56 112.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.97 134.19 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -117.65 152.38 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE2' ' O ' ' A' ' 18' ' ' LEU . 87.7 t80 -131.16 161.14 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.474 ' O ' ' CE2' ' A' ' 17' ' ' TYR . 13.4 mt -133.29 148.56 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 99.6 t -97.39 132.75 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.56 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 9.7 mt-10 -68.39 -55.9 11.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -120.06 -64.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.6 mmm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ARG . 21.9 tpp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -34.5 -56.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.81 96.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.3 t80 -47.05 -47.04 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.21 -46.39 17.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -43.62 -57.65 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.68 93.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.16 -59.4 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.461 ' HA ' ' CD2' ' A' ' 93' ' ' LEU . . . -53.07 -45.5 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -50.6 -49.78 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.2 t -58.89 -30.58 67.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 26.8 mmtm -72.26 -56.74 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.28 35.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -124.4 128.76 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -82.85 108.8 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -96.55 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.46 132.96 38.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.8 -37.03 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.12 167.87 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 p -72.45 141.39 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -164.49 -177.96 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -76.29 -27.19 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.82 -34.39 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.596 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 25.3 p -96.33 -28.33 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.596 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 24.2 m80 -134.81 155.19 51.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.32 134.94 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.45 127.74 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 mtt -135.56 146.01 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -116.24 158.17 23.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 42.73 27.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m -110.7 116.47 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -70.81 165.35 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.36 -50.48 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.11 -30.9 71.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.22 -53.06 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.17 -54.34 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.3 t -46.67 -38.27 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -60.49 -56.31 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -60.21 -16.0 29.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -84.93 -46.34 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.6 -43.91 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -54.42 -39.24 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.96 -62.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mmt -48.12 -20.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.87 21.55 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.24 151.36 37.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 155.06 66.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.48 32.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.51 -8.63 78.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.7 t -84.18 141.94 30.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 78.8 m -101.75 132.49 21.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.98 55.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.06 11.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.85 118.2 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.98 105.39 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -115.4 173.62 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -106.09 157.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 87' ' ' SER . 5.0 tp -50.28 -30.72 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 86' ' ' ILE . 43.7 t -52.73 -27.45 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -75.59 -52.34 10.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.34 -57.46 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.5 p -47.38 -45.83 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.53 -32.56 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 m -78.08 -30.59 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 61.5 mt -71.94 -51.93 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.88 -14.05 60.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.52 -17.39 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.72 -10.99 28.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -132.52 151.82 78.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.76 108.3 2.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.0 151.2 88.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 116.03 4.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' PRO . 50.9 t -35.88 152.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -125.43 175.95 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 t -66.83 -32.8 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -75.24 -24.6 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -74.99 -53.78 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 mtp-105 -41.39 120.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.1 mt -97.82 69.62 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -127.77 151.03 49.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.403 ' CG2' ' H ' ' A' ' 110' ' ' ALA . 8.7 p -122.01 168.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.403 ' H ' ' CG2' ' A' ' 109' ' ' VAL . . . -175.1 127.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.93 63.85 4.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.358 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -52.05 -46.21 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.443 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 26.4 m-85 -118.49 82.49 19.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.96 24.93 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.7 27.66 19.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.4 t -142.11 114.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.74 128.07 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.417 ' CG2' HG23 ' A' ' 54' ' ' VAL . 24.5 mt -117.91 137.53 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -121.25 128.4 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' CB ' ' HG3' ' A' ' 28' ' ' ARG . 30.0 mt -93.09 140.08 29.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.56 HG21 ' CZ2' ' A' ' 66' ' ' TRP . 65.1 t -85.43 98.53 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 23.5 mt-10 -34.19 -58.8 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 22' ' ' ARG . 53.6 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 21' ' ' PRO . 66.9 mmt-85 -28.61 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' VAL . 11.6 tpp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG3' ' CB ' ' A' ' 18' ' ' LEU . 28.7 ttp180 -57.3 -56.43 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.17 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -40.35 -50.22 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.7 mt -71.29 -49.16 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 93.3 m -34.04 -59.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.46 -44.18 84.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -52.5 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -55.06 12.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -46.5 -46.92 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -60.18 -35.69 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -69.67 -58.71 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.6 34.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.51 134.8 55.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.75 115.43 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.4 t -93.93 120.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.08 134.93 39.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.29 -48.82 63.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.63 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.44 141.97 58.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 p -172.27 168.07 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -55.67 -33.29 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' ALA . 4.0 mm-40 -45.25 -48.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.11 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.2 p -105.15 -33.92 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -132.35 101.39 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.1 t -85.44 138.42 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.437 ' O ' ' CE ' ' A' ' 23' ' ' MET . 89.5 t -109.57 141.49 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.497 ' CE ' ' CE3' ' A' ' 66' ' ' TRP . 51.8 mtt -139.4 140.25 37.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -117.08 131.31 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.01 42.67 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.4 m -115.61 140.22 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -77.06 154.78 33.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.52 73.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.55 -41.18 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.65 -55.23 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.34 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 42.2 t -60.67 -28.39 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -83.3 -30.84 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.56 ' CZ2' HG21 ' A' ' 19' ' ' VAL . 54.8 t90 -78.12 -19.5 53.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.4 pt20 -87.52 -32.65 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.9 mm-40 -55.74 -50.9 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' GLU . 83.3 mmt-85 -34.5 -43.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' ALA . 23.7 mtp180 -71.77 -61.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.7 mmm -45.93 -29.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.05 -55.46 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.72 32.2 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -79.67 157.37 74.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.689 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.36 42.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.5 9.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.08 58.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -56.34 158.23 4.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 80' ' ' PRO . 98.0 m -123.13 136.02 26.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.403 ' N ' HG22 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.81 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.68 176.53 6.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.81 109.28 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.5 mt -70.61 106.96 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 88' ' ' TRP . 27.9 mt -113.12 166.32 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -106.22 156.76 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.5 tp -42.66 -42.72 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.5 m -44.63 -41.05 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.506 ' CD1' HD13 ' A' ' 84' ' ' LEU . 62.8 t90 -61.47 -52.02 66.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' SER . 47.2 tp -55.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -37.97 -50.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -59.0 -39.81 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 16.5 m -67.17 -38.41 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.62 -51.82 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.39 -10.51 48.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.501 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.37 -16.9 14.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.98 -14.63 19.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.428 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 27.6 pt20 -129.95 151.21 77.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.443 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.8 Cg_endo -69.75 108.35 2.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.2 m -71.04 148.55 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 84.2 t -34.94 135.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -103.25 171.83 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 p -63.77 -34.39 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -77.05 -38.12 53.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ARG . 46.3 m170 -54.53 -56.39 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' HIS . 75.3 mtt180 -35.86 126.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -109.24 94.1 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.439 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 6.8 tt0 -150.5 153.37 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 p -116.47 171.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.09 136.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 47.81 66.26 2.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -46.07 -37.06 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.559 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.5 m-85 -124.73 84.91 57.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.694 0.759 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 53.7 Cg_endo -69.74 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.93 14.26 31.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 15' ' ' ALA . 98.9 t -135.07 134.3 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 111.184 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' VAL . . . -135.86 110.3 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.9 mt -99.56 142.19 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -120.99 129.19 53.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.82 125.54 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 14.6 t -59.19 168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.634 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 12.9 mt-10 -96.33 -70.61 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 -53.25 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 33.4 mmt-85 -38.53 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.471 ' HE1' ' N ' ' A' ' 19' ' ' VAL . 2.9 mpp? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' A' ' 20' ' ' GLU . 15.1 ttm180 -69.55 -60.81 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.0 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE2' HD22 ' A' ' 31' ' ' LEU . 5.0 t80 -41.2 -57.37 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 30' ' ' PHE . 20.0 mt -71.25 -51.55 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.4 m -37.68 -49.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.6 -48.55 10.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 tp -49.1 -55.79 11.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -62.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -45.02 -36.56 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -69.76 -37.6 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -71.28 -57.55 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.33 33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -129.52 118.18 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 12' ' ' PRO . 6.1 ptp180 -66.82 139.55 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.89 119.14 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 mt -77.8 137.71 38.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.68 -50.21 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.11 170.76 10.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 m -59.56 114.62 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.9 p -134.53 151.21 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 p -50.86 -32.13 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.8 mm-40 -50.29 -42.73 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.03 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 p -103.73 -33.07 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -137.01 129.81 30.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.76 152.21 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 55' ' ' MET . 47.7 t -121.99 139.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.436 ' N ' HG11 ' A' ' 54' ' ' VAL . 21.1 mtt -144.91 118.28 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -96.74 143.33 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 52.37 46.53 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.7 m -129.52 150.55 50.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.9 t -88.8 157.98 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.67 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.01 -41.2 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.37 -50.04 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.43 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.1 t -48.66 -38.13 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -47.76 76.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.494 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t90 -63.75 -22.4 66.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.435 ' NE2' ' HG2' ' A' ' 81' ' ' PRO . 3.9 tp-100 -82.37 -54.17 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -41.03 -44.95 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -46.6 -40.79 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 12.6 mtp-105 -72.85 -52.25 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.32 -35.14 36.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.19 8.05 23.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -86.29 145.55 40.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 162.63 41.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.396 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.63 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.57 -36.69 3.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.46 125.88 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.7 m -84.49 137.26 39.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 132.61 23.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.435 ' HG2' ' NE2' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 156.29 63.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.48 124.98 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.3 mt -87.52 98.16 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 107' ' ' LEU . 46.1 mt -100.5 171.17 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -106.35 162.37 13.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 87' ' ' SER . 8.0 tp -51.9 -27.03 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.417 ' N ' HG21 ' A' ' 86' ' ' ILE . 6.8 t -59.29 -33.91 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -69.02 -54.16 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.05 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -39.11 -58.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -50.55 -45.48 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' GLY . 33.3 m -59.8 -56.06 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.9 mt -51.42 -44.81 62.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -16.69 74.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 -13.5 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . . . 77.79 -12.9 14.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -130.7 151.59 79.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.79 108.25 2.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.8 m -71.01 151.24 94.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.7 Cg_endo -69.78 114.84 3.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' PRO . 79.8 t -34.48 143.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.13 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.21 -37.89 88.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -73.14 -37.3 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -57.92 -57.19 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -42.31 117.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 9.6 mt -98.43 98.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -151.52 156.45 40.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' CG2' ' H ' ' A' ' 110' ' ' ALA . 10.0 p -126.61 167.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' H ' ' CG2' ' A' ' 109' ' ' VAL . . . -173.07 109.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.84 67.02 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.417 ' CG2' ' HA ' ' A' ' 12' ' ' PRO . 12.4 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.75 0.31 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -48.66 -46.09 39.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 37.8 m-85 -118.97 84.34 25.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 53.5 Cg_endo -69.76 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.9 26.47 19.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -142.9 124.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.79 116.21 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 17' ' ' TYR . 51.6 mt -107.56 137.29 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' N ' HG21 ' A' ' 16' ' ' ILE . 45.5 t80 -115.65 126.91 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.7 mt -100.84 127.57 47.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 4.6 t -75.22 157.87 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mm-40 -87.97 -69.1 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.73 -51.75 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 36.6 mmt-85 -51.7 -56.05 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ARG . 4.2 tmt_? -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.37 66.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -41.41 -60.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' THR . 65.9 mt -65.28 -46.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 98.8 m -35.33 -55.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.48 -41.88 57.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.0 tp -52.66 -54.04 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -52.9 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -38.44 -39.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -66.64 -44.76 81.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' ALA . 36.0 mmtt -65.89 -50.59 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 35.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -126.79 127.05 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -79.44 113.6 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.4 133.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.6 mt -86.44 142.41 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.48 -57.33 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.05 160.1 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -48.16 115.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -142.77 153.7 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -45.87 -43.55 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 29.2 mm-40 -39.24 -44.62 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.92 118.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.417 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 17.2 p -121.8 -27.84 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.417 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 22.3 m80 -137.67 116.0 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.57 125.44 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.0 t -100.19 123.29 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.406 ' HE2' ' CE3' ' A' ' 66' ' ' TRP . 40.8 mtt -127.29 129.89 48.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -99.69 143.3 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 46.0 50.34 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 59' ' ' SER . 88.3 m -125.16 146.21 49.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.437 ' N ' HG21 ' A' ' 58' ' ' THR . 48.1 m -86.83 152.4 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.47 -46.79 48.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.9 -44.52 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.88 -50.48 60.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.9 -60.12 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.7 t -47.89 -44.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -53.25 -57.89 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.406 ' CE3' ' HE2' ' A' ' 55' ' ' MET . 12.5 t90 -52.11 -38.24 56.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -61.17 -41.8 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -45.29 -48.88 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -43.91 -55.14 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' NH2' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mtt180 -54.44 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 mmt -44.47 -23.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.55 -39.39 46.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.56 19.8 18.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.91 152.71 38.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.45 56.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 150.49 68.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.31 -40.89 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -50.42 125.43 12.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.1 m -88.99 132.79 36.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 0.0 111.077 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 146.28 59.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.47 56.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.42 115.64 17.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.1 98.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 52' ' ' HIS . 48.5 mt -99.02 172.71 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -105.58 150.36 25.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.454 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -45.48 -44.58 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.451 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 32.8 t -42.93 -46.52 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.486 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 62.9 t90 -56.99 -36.71 70.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 tp -65.34 -55.22 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 86' ' ' ILE . 43.0 p -56.95 -15.65 5.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.16 -35.75 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.6 m -75.46 -42.52 52.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.28 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.72 -15.98 67.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.72 -11.95 31.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -136.74 152.07 73.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.79 108.31 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.431 HG21 ' NE1' ' A' ' 88' ' ' TRP . 25.9 m -67.55 151.95 96.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 102' ' ' GLU . 95.1 t -41.43 134.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 101' ' ' VAL . 20.6 mt-10 -102.11 177.18 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.51 -19.75 60.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -92.68 -25.99 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.486 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 36.7 m170 -69.13 -37.85 78.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -57.0 106.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.7 mt -89.49 109.97 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -164.74 155.19 14.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.02 170.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.06 109.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.87 63.83 2.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 8.5 mmt180 -45.71 -47.49 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.553 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 53.5 m-85 -134.77 89.09 26.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 2.97 3.02 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.61 0.45 32.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -125.79 121.18 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.77 120.27 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 54' ' ' VAL . 64.8 mt -104.76 143.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 11.8 t80 -121.79 136.34 54.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 mt -105.92 123.84 48.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 47.7 t -77.77 117.72 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 3.4 mm-40 -44.32 -60.27 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.77 166.43 27.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? 40.97 48.92 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -52.0 -57.29 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.36 -50.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -40.2 -48.17 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.22 -47.45 57.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.1 m -44.32 -53.53 6.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.32 -44.71 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.3 tp -50.84 -60.81 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -43.6 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.48 -49.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -59.15 -41.21 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' ALA . 35.1 mmtm -64.88 -49.79 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 143.24 33.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.78 135.77 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -81.95 109.45 16.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.4 t -92.56 130.19 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.17 146.05 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.3 -46.68 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . . . -133.23 -71.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -165.54 150.9 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 49' ' ' GLU . 2.0 m -174.06 153.8 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -44.05 -22.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' THR . 24.7 mm-40 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.728 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.3 p -93.02 -20.97 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.728 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 14.8 m80 -152.76 135.46 15.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.91 126.06 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG22 ' CG2' ' A' ' 16' ' ' ILE . 76.2 t -96.84 129.75 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.6 mtt -128.41 122.16 30.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' GLU . 17.1 mt-10 -91.53 155.37 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' GLU . 18.8 mm-40 35.92 37.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.4 m -112.65 140.06 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -75.75 179.53 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.17 -43.05 44.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.13 -42.45 80.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -49.81 -57.58 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.29 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 65' ' ' SER . 6.2 p -45.47 -39.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.453 ' N ' HG11 ' A' ' 64' ' ' VAL . 6.9 t -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -69.48 -21.1 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.453 ' HB2' ' CD1' ' A' ' 83' ' ' LEU . 13.1 tt0 -68.95 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.77 -36.38 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -53.53 -34.94 60.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -60.43 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.47 -30.92 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.79 10.99 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.6 146.02 30.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 166.05 28.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.25 69.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.39 -41.48 2.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.26 126.35 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 92.0 m -84.24 139.11 39.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 111.163 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.5 Cg_endo -69.83 145.53 57.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 160.31 50.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.63 106.32 18.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 67' ' ' GLN . 51.0 mt -67.27 115.39 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 101' ' ' VAL . 15.8 mt -123.73 173.58 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -105.65 154.43 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.39 -47.85 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 5.9 t -40.28 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -58.22 -42.05 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' ILE . 15.0 tp -59.45 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.1 p -47.74 -38.53 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.64 -40.05 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.1 m -71.22 -40.41 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.404 ' CD2' ' HG3' ' A' ' 38' ' ' LYS . 6.7 mt -61.71 -54.73 38.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.62 -16.18 49.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.11 -15.87 18.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.95 -9.6 30.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -135.36 151.81 75.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.85 108.35 2.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.59 151.92 96.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 84' ' ' LEU . 1.9 p -38.55 143.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.87 176.37 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -61.88 -35.97 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -67.78 -19.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -83.52 -50.94 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -42.8 159.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -129.45 102.95 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 45.9 tt0 -151.31 161.13 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 3.9 p -128.98 170.86 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.06 134.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.63 73.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -44.77 -53.17 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.6 m-85 -122.03 89.85 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -45.28 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.15 -37.0 45.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -82.47 105.66 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.67 122.69 48.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.455 ' CG2' HG22 ' A' ' 54' ' ' VAL . 33.6 mt -108.2 135.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -114.55 123.02 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.51 119.94 28.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.409 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 79.2 t -70.58 107.27 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 21.7 mt-10 -39.46 -60.11 1.38 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.0 Cg_endo -69.74 147.46 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 55.99 51.09 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 tpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.779 0.324 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -41.95 -55.43 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.62 -51.9 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -39.27 -41.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.32 -49.42 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -39.51 -55.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.31 -45.14 56.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.4 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.5 -62.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -41.17 -45.15 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -63.42 -42.46 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 49.9 mmtt -62.64 -48.21 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.08 31.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 10.1 m-85 -121.59 123.71 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -72.35 117.41 13.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -89.12 122.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.5 135.1 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.54 -62.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.77 -74.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -171.36 119.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 m -125.38 37.14 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 t 48.77 29.48 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 11.6 mt-10 -114.9 -29.94 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.63 120.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.778 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 19.3 p -126.47 -29.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.778 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 4.5 m80 -132.41 112.15 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -93.95 133.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.455 HG22 ' CG2' ' A' ' 16' ' ' ILE . 46.8 t -104.11 131.86 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 22.3 mtt -134.36 144.07 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLU . 18.6 mt-10 -109.83 144.12 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . 7.1 pt-20 34.32 39.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.7 m -104.16 137.5 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -69.87 170.53 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.73 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.0 -41.19 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.58 -33.71 23.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.78 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.1 p -49.18 -29.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 t -82.04 -37.12 26.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.37 -25.1 64.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -79.32 -28.73 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 5.5 mm-40 -53.43 -42.44 67.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -49.88 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.8 mtp180 -58.78 -62.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.7 mmt -41.01 -32.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.6 -52.67 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.79 30.23 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -99.83 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.548 0.689 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.44 63.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 125.84 12.58 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.34 -35.93 4.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.69 133.59 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 52.8 m -91.84 137.77 25.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.83 115.08 3.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 142.43 47.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.31 110.21 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 115.26 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.9 mt -115.55 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -105.78 150.19 25.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CD1' HG22 ' A' ' 90' ' ' THR . 0.0 OUTLIER -44.04 -42.86 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 11.0 t -41.05 -44.22 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.455 ' NE1' HG21 ' A' ' 99' ' ' VAL . 76.2 t90 -55.77 -54.27 46.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.0 tp -47.31 -64.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.481 HG22 ' CD1' ' A' ' 86' ' ' ILE . 78.4 p -44.82 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -63.22 -40.72 98.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 m -65.63 -52.41 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.52 -53.28 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.23 -16.21 33.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.92 -13.08 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.81 17.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.58 152.46 77.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.82 108.89 2.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.455 HG21 ' NE1' ' A' ' 88' ' ' TRP . 25.9 m -73.08 152.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.64 19.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.05 146.52 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.43 ' HG2' ' CG ' ' A' ' 105' ' ' HIS . 11.7 pt-20 -127.46 173.91 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.58 -51.32 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -56.44 -40.61 75.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 102' ' ' GLU . 32.9 m170 -58.31 -51.5 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -48.03 151.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 mt -133.75 111.74 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -160.31 164.5 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.0 p -134.88 168.52 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.09 137.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.92 64.95 3.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -73.35 -42.21 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 97' ' ' GLN . 20.7 m-85 -117.39 83.04 15.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.79 28.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.91 29.98 5.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.2 t -149.87 117.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.33 117.29 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.444 ' CG2' HG22 ' A' ' 54' ' ' VAL . 30.0 mt -102.8 139.7 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.536 ' CZ ' ' SG ' ' A' ' 46' ' ' CYS . 53.8 t80 -119.56 145.28 46.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -123.55 128.98 50.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 23' ' ' MET . 47.5 t -56.02 151.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.59 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.8 mp0 -84.81 -67.54 0.18 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.8 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' C ' ' O ' ' A' ' 21' ' ' PRO . 4.1 ttm180 -25.72 -67.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.46 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 27.9 tpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -50.39 -52.99 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.97 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -41.16 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' THR . 21.7 mt -64.23 -48.8 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.505 ' CG2' ' NH2' ' A' ' 36' ' ' ARG . 79.3 m -36.8 -61.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.41 98.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 tp -54.3 -55.26 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.01 -52.66 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.505 ' NH2' ' CG2' ' A' ' 32' ' ' THR . 77.6 mtt180 -45.36 -40.25 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -67.56 -42.14 83.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -64.3 -44.41 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.57 30.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -109.42 128.16 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -78.92 109.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 t -95.86 135.6 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -94.81 144.83 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.53 -47.61 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.48 168.71 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' A' ' 17' ' ' TYR . 4.1 m -77.11 115.69 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -142.25 163.84 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.0 p -49.88 -42.02 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.0 -39.39 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.18 105.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.453 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 1.2 p -94.22 -29.86 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.453 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 1.9 m80 -134.54 156.55 48.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 126.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG22 ' CG2' ' A' ' 16' ' ' ILE . 35.1 t -95.81 134.94 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.3 mtt -142.37 142.03 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.43 156.41 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 39.69 47.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.401 ' CG2' ' NH1' ' A' ' 22' ' ' ARG . 86.1 m -126.54 135.31 51.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.5 p -76.01 163.42 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.0 85.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.12 -42.42 60.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.37 -60.77 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -41.85 -58.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 46.2 t -50.37 -29.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -76.15 -35.92 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -72.89 -27.2 61.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -84.99 -24.3 28.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.13 -53.12 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -39.88 -42.31 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.5 mtp85 -67.82 -60.41 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.9 mmm -44.25 -33.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -55.16 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.49 27.19 9.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -75.03 154.33 86.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 162.69 41.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 126.47 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.02 11.97 66.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.1 t -73.9 157.44 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.465 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 95.9 m -117.36 139.06 25.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.8 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 155.08 66.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.62 109.12 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 63' ' ' ALA . 14.7 mt -74.85 99.09 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.1 mt -97.22 167.04 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -105.98 157.1 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 tp -44.42 -33.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -51.88 -41.5 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -64.39 -50.95 65.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.54 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 p -46.33 -44.7 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.87 -31.84 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -77.29 -47.35 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.1 mt -59.47 -47.02 87.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.24 -14.57 68.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.2 -14.52 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.6 -10.4 17.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 21.4 pt20 -132.65 152.25 79.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.81 108.6 2.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.3 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.16 152.66 92.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.16 9.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -47.12 146.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 5.0 pt-20 -131.16 178.05 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 m -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -47.08 -41.94 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.478 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 56.0 m170 -60.45 -49.83 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -50.07 120.37 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.37 75.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.438 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 16.2 tt0 -130.91 158.81 39.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.3 p -120.83 170.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.14 124.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.32 67.04 2.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -57.85 -39.89 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -131.71 81.37 63.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.83 27.29 19.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.3 t -148.1 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.99 113.91 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -127.07 124.72 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.01 121.66 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 20' ' ' GLU . 89.9 t -71.01 94.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.2 mt-10 -33.49 -60.17 0.44 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.75 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 74.65 36.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -56.75 -54.48 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.7 t80 -40.86 -40.97 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -89.7 -45.99 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.2 m -38.1 -66.26 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.66 81.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.0 -60.8 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.27 -47.39 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -45.31 -52.01 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -59.31 -32.21 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -72.99 -49.15 30.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.62 32.83 0.15 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -119.47 116.29 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -71.27 110.77 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -90.92 127.27 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -81.43 129.35 34.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.65 -48.77 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.49 174.66 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.38 108.05 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -128.38 168.43 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -60.62 -36.06 77.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 39.4 mt-10 -44.41 -37.1 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.77 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.416 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 38.5 p -108.13 -29.43 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 39.3 m80 -136.53 113.66 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 t -94.06 130.38 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.36 128.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE2' ' CE3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -123.96 148.08 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.88 145.46 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 42.44 41.29 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 59' ' ' SER . 25.1 m -115.26 158.16 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.402 ' N ' HG21 ' A' ' 58' ' ' THR . 17.6 m -92.13 165.67 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.3 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.69 -44.87 63.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -49.33 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.31 -55.37 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 60.6 t -48.68 -39.26 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -58.53 -57.16 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.504 ' CE3' ' HE2' ' A' ' 55' ' ' MET . 52.9 t90 -53.25 -31.25 42.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -71.5 -39.21 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.48 -40.5 96.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.88 -29.64 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 4.6 mtp-105 -82.38 -61.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmt -40.13 -31.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.21 -45.43 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -101.44 21.86 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.62 146.81 33.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 160.72 48.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.28 37.41 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.63 -28.93 9.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.84 155.32 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -116.98 130.46 24.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 113.64 3.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.56 126.31 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 56.9 mt -78.8 101.36 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -118.26 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 42.2 p30 -106.16 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.02 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -52.9 -29.18 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -72.53 -48.37 40.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.09 -56.12 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 p -43.39 -34.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.18 -45.92 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 m -60.84 -29.49 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.59 -50.96 18.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.35 -10.35 59.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.75 -16.7 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.17 47.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -136.72 151.5 72.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 108.33 2.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.381 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.58 151.66 91.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 130.59 19.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 78.1 t -37.94 154.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 105' ' ' HIS . 72.0 mt-10 -135.77 158.91 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 67.0 m -50.79 -31.46 16.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -75.73 -43.32 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 102' ' ' GLU . 13.8 m170 -60.36 -49.12 78.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -43.78 123.77 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.89 67.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -123.94 165.24 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.37 170.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.08 113.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.94 64.82 2.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.915 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.57 -43.32 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 11.5 m-85 -127.45 87.05 57.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.84 5.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.13 51.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' CE1' ' A' ' 52' ' ' HIS . 98.1 t -95.73 110.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.76 113.03 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 mt -100.69 135.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 4.0 t80 -127.86 129.57 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -95.38 165.51 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 10.6 t -93.16 169.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.6 mm-40 -96.03 -70.55 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.664 0.745 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.73 -54.13 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 1.6 mmp_? -35.19 -53.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.42 ' HG2' ' NH2' ' A' ' 28' ' ' ARG . 3.2 mpp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 28' ' ' ARG . 5.1 mmp_? -60.99 -66.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ARG . . . -35.95 -38.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -54.53 -54.15 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LEU . 12.0 mt -76.22 -45.77 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' LEU . 99.2 m -34.14 -46.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.56 -33.4 31.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 24.1 tp -60.94 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -51.67 -44.04 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -62.46 -24.38 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -82.82 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.12 34.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -125.59 124.0 40.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -73.41 113.55 10.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.7 t -93.53 125.84 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.05 129.62 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.36 -55.53 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.93 145.15 38.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.3 p -48.32 129.56 15.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -152.38 165.57 34.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.9 m -52.81 -49.19 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' ALA . 5.9 mt-10 -35.98 -44.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.56 106.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.852 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 25.9 p -106.54 -28.65 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.852 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 2.6 m80 -135.13 130.1 34.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.89 128.24 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 55' ' ' MET . 42.0 t -104.48 139.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.423 ' N ' HG11 ' A' ' 54' ' ' VAL . 9.3 mtt -142.37 154.81 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -123.89 151.62 43.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 43.68 35.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -111.16 140.38 45.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -79.02 163.91 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.87 78.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.18 -30.28 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -57.76 -41.43 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.12 -51.27 70.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -52.88 -31.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.2 -28.26 48.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.425 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 14.3 t90 -80.94 -23.41 38.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.4 -31.96 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.02 -43.33 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -56.57 -30.59 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 5.2 mmm180 -63.18 -71.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.0 mmt -45.8 -25.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.39 9.53 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.06 156.59 54.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.18 10.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.222 . . . . 0.0 112.375 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.49 -38.59 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.1 130.77 48.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 99.8 m -80.53 138.85 51.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.171 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.73 142.1 47.12 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.28 128.15 35.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.23 94.37 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 101' ' ' VAL . 7.7 mt -99.71 171.34 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -105.62 152.94 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 tp -47.19 -25.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.5 m -53.42 -34.93 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.558 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 66.7 t90 -75.99 -41.41 51.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.16 -61.68 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 45.9 p -44.09 -55.17 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.87 -49.14 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.6 m -57.97 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.94 -41.89 95.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.25 -10.68 84.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.97 -14.88 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.27 -10.09 17.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -133.37 152.35 79.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.567 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.77 108.1 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.3 m -71.07 153.3 94.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.462 HG21 ' CD2' ' A' ' 84' ' ' LEU . 2.2 p -37.63 133.75 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -104.06 170.76 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.49 -39.54 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -58.9 -40.59 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 6.8 m170 -62.4 -37.52 86.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -62.09 144.08 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.83 103.02 10.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -148.71 154.4 39.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 13.7 p -123.89 166.68 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.419 ' N ' ' CG2' ' A' ' 109' ' ' VAL . . . -172.15 110.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.35 65.71 2.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.282 . . . . 0.0 112.36 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 12' ' ' PRO . 10.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.06 -45.17 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.6 m-85 -129.73 84.63 60.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.439 ' N ' HG22 ' A' ' 9' ' ' THR . 53.4 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -32.32 3.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 52' ' ' HIS . 2.4 p -98.08 110.95 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -114.64 110.55 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mt -89.31 134.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 3.1 t80 -120.74 124.69 45.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.24 130.87 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' GLU . 66.1 t -86.82 102.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 6.2 mt-10 -37.7 -60.24 0.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.74 144.99 55.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 60.13 42.3 15.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.9 ttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.6 tmm_? -36.78 -64.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.43 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -40.06 -43.89 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.83 -44.81 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.8 m -41.12 -60.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.85 -39.02 94.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -53.56 -59.08 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.77 -70.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptp180 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 45.4 t -65.52 -40.49 93.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 37.5 mmtt -69.58 -41.84 75.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.81 31.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -126.46 126.1 43.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -65.26 113.16 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.3 t -90.92 119.32 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 15' ' ' ALA . 5.9 mt -92.25 144.36 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.49 -33.61 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.72 158.29 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.05 109.3 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -128.17 43.77 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m 54.84 28.95 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.32 -36.77 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.09 107.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.542 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 7.5 p -106.67 -33.01 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.56 ' CE1' HG22 ' A' ' 14' ' ' VAL . 12.9 m80 -131.18 116.59 17.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 54' ' ' VAL . 71.7 t -94.65 138.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.448 ' N ' HG12 ' A' ' 53' ' ' VAL . 94.9 t -111.41 134.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.413 ' N ' HG13 ' A' ' 54' ' ' VAL . 34.5 mtt -140.9 145.84 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -112.82 144.46 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 44.54 51.48 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -120.72 144.7 48.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -82.59 156.22 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.76 -48.99 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.23 -42.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.76 -59.65 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.11 -60.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.8 t -39.52 -45.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -50.5 -53.67 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -65.59 -34.18 77.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -58.19 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.6 mm-40 -47.46 -50.67 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' GLU . 22.2 mmt180 -34.54 -46.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.93 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.03 -29.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.32 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.89 31.22 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.55 152.33 46.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.72 23.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.52 35.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.05 -41.86 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.7 t -51.51 123.6 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.74 153.87 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.37 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 158.45 56.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.22 113.1 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.72 116.53 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.6 mt -121.73 166.89 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.6 p30 -107.15 155.46 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.428 HG13 ' CG2' ' A' ' 90' ' ' THR . 9.5 tp -39.24 -42.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -37.94 -47.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.31 -62.77 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -48.04 -60.45 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.428 ' CG2' HG13 ' A' ' 86' ' ' ILE . 30.6 p -44.01 -39.19 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.64 -53.04 14.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -53.93 -41.78 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.412 ' CD2' ' HG3' ' A' ' 38' ' ' LYS . 22.5 mt -64.99 -53.39 46.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.25 -7.26 24.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.22 -21.48 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.18 -16.31 39.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -128.15 152.54 77.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.431 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.1 Cg_endo -69.77 108.14 2.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.212 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.92 152.4 93.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' VAL . 54.1 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.393 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' PRO . 97.5 t -33.84 146.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -129.33 158.13 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.48 -45.03 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -60.77 -39.9 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.37 -53.64 40.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -44.63 133.0 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.6 mt -116.3 97.48 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -156.69 151.27 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.77 169.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.07 134.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.41 65.54 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.771 0.319 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -48.9 -42.8 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CD2' ' HD3' ' A' ' 98' ' ' PRO . 14.1 m-85 -120.25 83.75 33.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.81 18.85 56.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.4 t -143.56 111.13 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.99 110.15 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.9 mt -98.69 147.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.07 122.74 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -93.14 133.18 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 1.8 t -72.79 169.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.641 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.6 mt-10 -104.57 -71.41 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.9 mmp_? -116.83 -31.45 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.418 ' NH2' HG12 ' A' ' 86' ' ' ILE . 18.1 tpt180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.809 0.337 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -72.77 -60.57 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.21 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 3.1 t80 -38.87 -43.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.65 -48.99 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.3 m -39.48 -61.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.43 99.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 tp -55.26 -61.05 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -43.33 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 49.8 mtt180 -37.85 -48.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t -60.32 -37.9 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ALA . 68.1 mmtt -71.22 -41.41 70.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.59 28.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -113.98 124.42 52.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.01 117.7 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.9 t -96.89 129.66 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -93.96 142.54 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -82.83 -43.18 16.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.9 158.81 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.23 117.02 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -143.0 160.88 39.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -39.32 -44.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' ALA . 16.6 mt-10 -41.22 -46.26 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.3 114.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.8 p -121.48 -20.17 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -149.13 116.68 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.16 141.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.7 128.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.71 143.02 49.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.13 137.34 46.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 47.38 51.8 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 59' ' ' SER . 85.9 m -120.58 145.35 47.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.449 ' N ' HG21 ' A' ' 58' ' ' THR . 20.7 t -83.26 152.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.27 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.42 -27.44 56.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.38 -50.51 71.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.14 -55.06 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' GLN . 98.4 t -45.88 -56.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -45.71 -43.0 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.534 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 19.4 t90 -76.88 -20.63 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' VAL . 44.6 tt0 -78.84 -32.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.17 -40.37 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -50.6 -36.36 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.3 mmm180 -60.1 -70.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 mmt -44.26 -24.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.05 -44.05 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.87 15.51 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -102.59 154.16 37.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 155.68 65.36 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.28 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.9 -32.62 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.79 137.9 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -88.44 131.35 42.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.75 . . . . 0.0 111.1 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.04 63.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 157.57 60.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.03 113.13 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.9 mt -71.76 97.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.98 170.37 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -105.71 158.56 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.418 HG12 ' NH2' ' A' ' 27' ' ' ARG . 7.9 tp -44.11 -35.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -47.69 -39.18 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -66.25 -51.88 53.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.68 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -39.58 -47.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.64 -45.47 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 m -59.71 -50.79 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.7 -48.33 79.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.75 -22.51 70.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.13 22.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.78 -16.26 12.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.65 151.97 76.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.485 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.73 108.66 2.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.87 151.39 90.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -40.58 147.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -120.12 169.5 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.35 -11.81 60.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -100.67 -25.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -69.72 -47.61 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 14.8 mtp-105 -47.61 146.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.1 mt -121.93 85.42 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -132.86 164.65 26.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.62 168.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.06 127.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.88 61.88 6.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.762 0.315 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -62.87 -47.54 82.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -116.44 82.61 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.45 14.83 60.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG13 ' CE1' ' A' ' 52' ' ' HIS . 57.6 t -135.03 120.17 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.16 109.95 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -99.93 131.09 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -123.81 125.97 45.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.69 135.36 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG12 ' CZ2' ' A' ' 66' ' ' TRP . 2.6 t -64.42 109.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 16.9 mt-10 -39.2 -64.13 0.54 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.594 0.711 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.72 -90.89 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' PRO . 4.1 tpm_? -35.36 148.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.16 -58.31 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.94 -52.21 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.14 -51.24 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.7 mt -69.24 -52.08 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 59.0 m -36.45 -60.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.64 -47.5 88.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 tp -46.82 -59.36 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -49.04 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.1 mtt-85 -36.62 -40.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -67.17 -43.37 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ALA . 62.7 mmtt -64.55 -51.2 64.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.82 34.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -116.12 144.42 44.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -87.97 115.72 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.4 122.94 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -82.46 149.85 27.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -83.04 -46.0 13.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.94 177.65 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.39 87.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.0 t -100.47 155.28 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -58.39 -17.11 17.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' THR . 18.1 mm-40 -66.61 -36.86 83.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.42 92.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.663 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 27.5 p -89.69 -27.27 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.663 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 5.0 m80 -136.56 135.92 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.19 137.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -104.46 131.12 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.461 ' HE2' ' CE3' ' A' ' 66' ' ' TRP . 5.2 mtt -143.24 123.33 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -109.26 148.72 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 52.35 33.57 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.3 m -114.97 131.69 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLU . 50.3 m -70.39 140.63 52.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.17 -38.51 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.36 -33.0 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' SER . 12.5 mm-40 -59.96 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 -52.87 63.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.55 -26.2 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -84.48 -32.82 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.515 ' CZ2' HG12 ' A' ' 19' ' ' VAL . 27.4 t90 -75.67 -25.97 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' HG2' ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -84.59 -23.93 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.5 mt-10 -57.97 -57.06 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' GLU . 21.6 mmt85 -37.89 -37.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.7 mtp-105 -70.09 -64.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.68 -19.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.96 -40.17 47.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.3 17.8 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 148.15 45.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.545 0.688 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.82 43.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.32 -17.36 48.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.77 136.9 57.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 84.9 m -87.91 138.28 31.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.8 136.13 32.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.56 69.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 67' ' ' GLN . 5.1 mt -71.18 127.78 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.425 ' N ' HD11 ' A' ' 107' ' ' LEU . 19.0 mt -138.99 172.89 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -108.46 159.22 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.2 tp -46.04 -36.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -45.55 -38.26 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.19 -60.93 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -47.04 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.2 p -46.24 -50.95 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.73 -33.68 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -75.95 -35.44 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.09 -49.64 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -22.41 69.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.17 -15.37 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.15 -17.89 8.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -125.07 152.34 70.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 108.13 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.1 m -71.3 152.26 94.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.4 16.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.39 134.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 4.3 pt-20 -116.33 179.02 4.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.63 -52.63 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -56.8 -26.74 58.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.423 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 39.2 m170 -74.82 -41.22 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -58.3 126.9 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 84' ' ' LEU . 11.3 mt -107.49 90.54 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -141.57 157.53 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.401 ' CG2' ' H ' ' A' ' 110' ' ' ALA . 9.2 p -121.15 169.36 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' CG2' ' A' ' 109' ' ' VAL . . . -175.12 120.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.52 67.22 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.795 0.331 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -47.92 -40.17 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.8 m-85 -132.14 87.09 44.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -11.26 30.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.48 32.91 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -153.41 122.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.08 126.48 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 54' ' ' VAL . 33.1 mt -113.04 140.96 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -117.95 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.93 124.28 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' GLU . 95.2 t -76.14 105.66 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 5.9 mp0 -38.09 -60.07 1.07 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.72 168.58 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 41.84 40.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.7 tpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' ARG . 3.0 tpm_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' ARG . 55.1 mtm180 -36.21 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.57 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -38.79 -50.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.34 -51.32 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 m -39.5 -48.45 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.23 -41.87 12.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.79 -52.41 41.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -57.05 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -44.34 -44.23 8.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -63.64 -40.45 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -68.43 -57.22 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.51 35.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.52 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.49 122.9 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 136.03 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.22 123.79 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.1 mt -86.79 138.12 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.86 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.85 173.42 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.5 p -67.71 117.16 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -144.71 166.29 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -46.39 -45.49 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -44.58 -35.48 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 113.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.442 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 17.7 p -109.68 -38.02 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.442 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 20.9 m80 -125.68 113.79 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -95.89 128.24 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.435 HG23 ' CG2' ' A' ' 16' ' ' ILE . 58.7 t -93.65 129.24 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.403 ' HE3' ' CD2' ' A' ' 66' ' ' TRP . 53.8 mtt -128.53 111.14 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.74 130.71 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 60.65 47.01 8.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 59' ' ' SER . 90.5 m -124.94 139.94 53.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 58' ' ' THR . 1.2 t -70.79 174.69 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.65 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.72 -37.0 50.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -50.71 -44.03 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 83' ' ' LEU . . . -59.41 -51.17 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.2 t -53.98 -30.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 t -82.13 -49.95 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.403 ' CD2' ' HE3' ' A' ' 55' ' ' MET . 11.8 t90 -59.66 -28.26 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.6 pt20 -78.44 -34.48 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 4.4 mm-40 -64.19 -42.15 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -48.72 -44.06 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' ALA . 14.0 mtp-105 -64.42 -58.23 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -33.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.33 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.41 22.76 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -97.68 154.23 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.02 47.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.64 21.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.94 9.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.6 t -60.86 123.75 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.83 153.86 39.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.18 10.83 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.8 69.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.0 108.0 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 63' ' ' ALA . 25.7 mt -67.22 116.49 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.39 170.33 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.67 151.25 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -48.72 -40.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.8 t -45.04 -40.18 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.461 ' NE1' HG21 ' A' ' 99' ' ' VAL . 79.6 t90 -62.98 -45.72 91.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 tp -54.72 -55.99 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 86' ' ' ILE . 34.9 p -56.33 -33.27 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -41.56 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 m -68.88 -43.32 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.88 -51.08 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.71 -15.29 47.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.88 -14.55 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.31 -13.47 33.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -133.67 151.59 77.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.78 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 HG21 ' NE1' ' A' ' 88' ' ' TRP . 30.5 m -72.37 152.53 92.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.35 15.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.8 t -51.01 132.42 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -114.15 164.98 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 p -51.85 -37.28 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -69.38 -39.83 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.47 -49.62 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -45.92 138.14 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.2 mt -113.57 93.51 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -149.99 151.94 34.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.9 p -113.26 171.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.1 128.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.25 67.63 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.368 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 mmt180 -40.88 -49.94 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.4 m-85 -125.96 90.62 49.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.13 25.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.29 26.73 5.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -148.54 113.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.34 120.52 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' HG22 ' A' ' 54' ' ' VAL . 64.8 mt -109.16 128.77 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -108.63 122.59 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.85 124.92 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.4 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 16.9 t -77.22 97.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.592 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -41.81 -54.1 7.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.902 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.5 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 63.13 52.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 tpp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.5 tmm_? -35.5 -64.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -39.6 -43.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.84 -49.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.6 m -39.17 -55.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.72 82.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -54.5 -58.8 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.95 -60.99 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -44.31 -44.48 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -65.55 -39.09 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -67.91 -56.68 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 146.55 33.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -122.16 134.46 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -82.1 119.54 24.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.08 123.7 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 mt -88.54 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.97 -63.76 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.53 -75.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -174.63 110.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 m -110.47 24.78 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 m 60.27 27.2 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -115.18 -26.06 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.53 120.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 p -123.57 -26.58 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -139.64 112.64 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.6 t -93.37 138.71 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.46 HG22 ' CG2' ' A' ' 16' ' ' ILE . 50.4 t -105.75 120.1 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.8 mtt -119.69 155.79 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -131.6 134.4 45.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 47.28 53.05 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.8 m -133.84 135.22 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.3 m -68.43 169.12 11.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.62 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.15 -48.21 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -48.91 -35.84 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.72 50.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -46.06 -52.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -50.41 -57.21 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -54.17 -37.65 64.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -63.49 -50.06 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -41.35 -46.09 3.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -38.43 -60.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -47.2 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -43.16 -25.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.13 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.91 24.16 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.71 159.85 28.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 150.44 68.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.65 30.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.43 -43.83 2.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.0 m -54.18 117.88 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 12.4 m -76.14 135.6 69.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 111.132 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.4 Cg_endo -69.74 153.76 68.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.62 12.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.82 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 107' ' ' LEU . 51.5 mt -72.52 100.49 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.9 mt -111.35 175.64 5.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -105.62 153.46 21.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.8 tp -45.31 -26.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -53.06 -42.23 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.52 -53.48 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 30.7 tp -53.02 -65.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' LEU . 77.2 p -34.13 -51.38 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.07 -47.38 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 53.9 m -57.67 -52.53 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.22 -51.17 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.78 -15.41 48.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.491 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.69 -13.8 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.29 -12.27 26.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -132.67 152.4 79.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.74 108.97 2.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m -71.81 152.92 93.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.76 92.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 102' ' ' GLU . 3.1 p -35.02 146.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 101' ' ' VAL . 74.7 mt-10 -113.69 -176.59 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 12.9 t -67.27 -46.6 73.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -54.71 -43.26 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -54.23 -48.39 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -49.77 142.43 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 83' ' ' LEU . 5.7 mt -119.2 91.07 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 3.2 tm-20 -138.69 153.93 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.446 ' O ' ' CD ' ' A' ' 108' ' ' GLU . 7.5 p -120.74 170.96 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.11 130.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.01 66.31 2.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 12' ' ' PRO . 13.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -51.44 -49.68 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.63 84.57 53.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.448 ' N ' HG22 ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.75 -40.92 4.76 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -30.25 19.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.45 HG21 ' CE1' ' A' ' 52' ' ' HIS . 2.1 p -105.54 114.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.39 116.65 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.433 ' CG2' HG23 ' A' ' 54' ' ' VAL . 38.0 mt -97.72 137.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -119.73 129.17 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.79 131.98 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.49 ' CG1' ' CB ' ' A' ' 22' ' ' ARG . 2.0 t -68.72 142.18 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.597 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 6.5 mt-10 -84.77 -68.48 0.16 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.78 -51.93 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.498 ' NE ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -50.8 -57.77 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 28' ' ' ARG . 3.1 tmt_? -52.32 -43.75 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.73 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 9.7 t80 -43.12 -53.13 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.94 -45.44 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.5 m -38.35 -61.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.03 -32.66 81.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ALA . 11.1 tp -67.26 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.05 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -50.24 -46.34 54.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.9 t -58.63 -28.65 65.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -84.73 -34.12 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.97 31.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -125.35 117.47 23.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -55.53 117.62 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.14 124.03 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -96.13 132.36 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.78 -46.61 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.65 172.35 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.53 116.74 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -139.1 157.97 45.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -43.67 -45.68 7.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' ALA . 6.6 mp0 -42.63 -40.92 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.62 109.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.595 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.9 p -103.2 -37.67 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 12.0 m80 -136.35 133.82 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.78 119.98 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 16' ' ' ILE . 62.1 t -93.62 121.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.1 mtt -124.32 135.44 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.5 mt-10 -106.53 156.43 18.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.8 pt-20 37.11 40.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.7 m -111.22 128.19 55.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 t -68.52 151.03 47.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.99 -36.51 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.77 -41.83 15.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -51.89 -37.21 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 -70.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 65' ' ' SER . 7.5 p -47.88 -34.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 64' ' ' VAL . 4.5 t -66.09 -60.31 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . 0.524 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 2.1 t90 -46.68 -22.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.418 ' NE2' ' SD ' ' A' ' 71' ' ' MET . 17.9 tp60 -79.16 -48.23 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.81 -38.61 16.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.63 -36.57 69.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -67.18 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.418 ' SD ' ' NE2' ' A' ' 67' ' ' GLN . 41.3 mmm -39.94 -27.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -71.2 -52.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.84 17.96 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -77.68 147.63 75.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.65 33.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 131.85 22.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.287 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.71 10.85 72.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.2 p -71.16 159.44 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 80' ' ' PRO . 97.9 m -120.41 135.33 24.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 111.202 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.4 ' N ' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.77 113.44 3.38 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.22 19.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.33 99.94 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.4 111.7 5.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.08 175.94 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -107.07 152.79 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 tp -43.49 -29.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -52.59 -42.05 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 105' ' ' HIS . 73.0 t90 -66.24 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' SER . 13.8 tp -75.75 -61.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 p -39.35 -34.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.31 -43.4 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' LEU . 15.4 m -65.62 -46.0 80.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.97 -51.95 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.01 61.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.67 -15.05 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 -9.6 24.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -134.54 152.37 77.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.9 m -71.23 153.44 94.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -41.3 151.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 13.0 pt-20 -130.83 165.95 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.3 m -56.26 -33.2 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -69.91 -26.58 64.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 88' ' ' TRP . 21.8 m170 -76.94 -46.28 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -45.31 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.8 mt -126.41 118.39 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -166.5 161.26 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.9 p -123.26 170.5 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.08 114.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.66 64.75 3.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -90.38 -46.01 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -73.27 171.1 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.09 62.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -112.44 157.17 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -153.74 144.27 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.36 -54.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -122.84 110.86 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t -41.4 150.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -58.66 -41.17 85.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.7 m-85 -125.26 81.69 63.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -37.8 8.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.5 -32.55 38.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -102.98 114.57 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.37 114.44 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.0 mt -93.55 133.9 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 25.3 t80 -131.38 135.87 47.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.593 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 1.2 mt -101.86 165.78 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 22' ' ' ARG . 0.8 OUTLIER -108.31 142.67 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.538 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.4 mt-10 -70.88 -57.27 5.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.2 Cg_endo -69.73 5.37 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.392 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 10.0 tpp180 -123.86 -31.55 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 12.0 ttm -111.1 -44.06 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.08 173.51 17.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -86.32 -36.62 19.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -84.52 -59.13 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ARG . 34.2 ttp180 -49.9 -50.74 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ARG . 8.2 ttp85 -38.29 -53.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.97 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -39.81 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 30.4 mt -67.22 -45.68 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.411 HG21 ' CG1' ' A' ' 42' ' ' VAL . 97.3 m -41.37 -52.06 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.33 -44.61 21.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.1 tp -49.52 -56.21 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.97 22.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -42.68 -42.03 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 m -65.68 -37.15 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -68.04 -53.8 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.19 34.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -122.61 142.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -92.28 115.67 28.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' CG1' HG21 ' A' ' 32' ' ' THR . 90.8 t -95.83 125.91 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.62 131.25 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.71 -57.45 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.21 144.01 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -49.62 115.46 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -134.18 151.79 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -44.39 -36.71 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.99 -40.22 57.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.22 114.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.486 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 36.3 p -108.09 -36.29 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.486 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 28.9 m80 -126.76 131.47 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.0 t -109.31 130.21 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.425 ' HB ' ' CD2' ' A' ' 18' ' ' LEU . 88.0 t -98.48 117.44 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.3 mtt -122.51 135.25 54.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -106.87 131.33 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 59.84 46.86 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.3 m -119.69 134.67 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -76.79 151.66 35.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.08 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.4 pt-20 -78.89 -49.37 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 8.6 mm-40 -39.15 -51.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' CB ' HD11 ' A' ' 107' ' ' LEU . . . -46.49 -54.06 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.1 t -48.5 -49.54 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -47.21 -44.87 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.464 ' NE1' HG12 ' A' ' 19' ' ' VAL . 45.5 t90 -75.13 -23.72 57.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -71.27 -34.94 71.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.4 -44.21 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -49.12 -37.01 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 4.3 mmm180 -61.61 -60.43 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.2 mmt -53.98 -21.38 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -43.11 54.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.94 19.91 18.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.16 148.68 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 159.61 52.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.71 63.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.75 -29.67 3.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.45 123.65 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 87.5 m -78.54 138.32 58.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.78 144.47 54.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 142.3 47.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.75 114.48 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.78 120.7 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 107' ' ' LEU . 6.3 mt -126.71 177.32 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' CG ' HD21 ' A' ' 107' ' ' LEU . 27.0 m-20 -106.54 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.1 tp -61.81 -33.37 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 t -47.7 -48.94 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.83 -55.43 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' SER . 33.9 tp -51.72 -64.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.4 p -41.01 -52.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.75 -35.1 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . 24.9 m -69.59 -51.8 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.7 mt -53.71 -49.12 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.05 -21.09 67.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.05 -13.65 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.09 15.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.27 152.35 78.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.4 Cg_endo -69.71 108.27 2.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.1 m -67.65 153.01 95.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.19 7.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 88.8 t -46.66 152.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -141.66 159.78 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.4 -55.72 2.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -49.64 -41.33 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.21 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -48.46 129.93 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 84' ' ' LEU . 8.7 mt -107.18 96.46 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -145.71 162.78 36.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.56 169.96 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.09 136.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.27 65.98 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.96 47.76 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -105.02 164.37 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -140.78 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.18 163.04 24.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 172.9 11.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.49 126.31 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m -159.65 150.44 15.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 44.87 30.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 178.89 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.2 mmm -112.28 142.12 26.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.91 -36.76 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.525 ' CD2' ' O ' ' A' ' 125' ' ' TYR . 7.2 p90 -85.31 36.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.55 40.06 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 83.0 m -135.23 132.09 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.9 p -150.52 173.14 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.95 146.3 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.29 16.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -163.9 169.49 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 84.4 p -153.37 160.05 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -139.31 158.6 43.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -61.0 131.62 51.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.85 114.22 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -109.22 42.62 1.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -84.86 152.18 23.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.1 79.59 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.4 p -163.65 146.8 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 0.0 110.881 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -161.33 148.3 14.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -54.26 -49.0 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.2 m-85 -121.95 82.53 43.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -30.25 22.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.0 -33.54 69.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' CG2' ' CE1' ' A' ' 52' ' ' HIS . 1.3 p -102.18 114.59 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.99 112.81 24.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 73.6 mt -90.87 154.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 45' ' ' ALA . 69.8 t80 -134.12 143.47 47.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' CD1' ' HG3' ' A' ' 28' ' ' ARG . 12.7 mt -115.32 141.16 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 2.7 t -80.42 160.82 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 mm-40 -87.02 -68.69 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.1 Cg_endo -69.8 -52.0 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.478 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 2.6 mmp_? -48.86 -61.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.0 mmm -73.81 -54.74 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.14 145.25 7.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -52.94 -51.03 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -77.1 -52.48 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -47.21 -55.25 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 52.5 ttt-85 -54.78 -60.17 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.48 -56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -40.49 -55.67 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 65.2 mt -63.29 -47.95 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 86.9 m -37.69 -65.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.31 -45.28 95.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -53.31 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -41.55 -66.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 95.8 mtt180 -37.18 -45.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 30.8 mmtm -62.6 -49.57 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.03 33.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -130.96 128.76 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -84.62 116.05 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.6 t -89.09 130.15 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.9 mt -91.78 143.51 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.08 22.86 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -170.77 -178.58 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.45 82.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.8 m -113.45 177.24 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 p -48.53 -40.98 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -46.97 -43.59 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.56 113.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.763 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 63.0 p -98.6 -29.85 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.763 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 11.7 m80 -139.36 150.3 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 t -124.39 131.02 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.77 129.18 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.454 ' CE ' ' CE3' ' A' ' 66' ' ' TRP . 6.3 mtt -137.47 130.89 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.91 144.42 26.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 50.76 38.79 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.3 m -119.49 136.32 54.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.2 p -88.91 178.12 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.36 -47.01 77.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.7 pt-20 -66.68 -52.08 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 30.0 tt0 -46.26 -51.22 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.405 ' C ' HD11 ' A' ' 83' ' ' LEU . . . -47.22 -60.6 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.7 t -46.82 -46.52 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -53.48 -53.91 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.454 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 27.2 t90 -65.47 -28.19 69.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -68.7 -39.92 80.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -65.41 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.47 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 20.5 mtt-85 -66.8 -56.01 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 mmm -41.78 -29.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.95 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.64 8.36 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.89 157.53 88.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.1 35.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.9 22.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -14.75 64.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -64.55 135.43 55.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 92.8 m -104.86 139.07 19.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 111.157 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.72 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.14 110.5 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' LEU . 44.5 mt -69.71 116.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 107' ' ' LEU . 10.2 mt -120.22 171.17 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' ILE . 38.8 t70 -107.5 149.72 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.435 HG13 ' CG2' ' A' ' 90' ' ' THR . 4.2 tp -36.24 -35.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -42.1 -48.37 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.92 -55.63 31.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' SER . 21.0 tp -55.2 -62.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.435 ' CG2' HG13 ' A' ' 86' ' ' ILE . 12.8 p -37.47 -55.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.75 -33.95 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 89' ' ' LEU . 50.8 m -71.06 -45.43 63.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.5 -57.02 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.01 -14.48 38.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.51 -15.49 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.06 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -134.32 152.25 77.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.552 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.63 150.9 96.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 99.19 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 1.9 p -40.51 147.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -120.41 168.33 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.1 -37.07 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -67.91 -53.09 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -43.3 144.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 83' ' ' LEU . 13.9 mt -115.96 98.49 6.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -149.07 153.89 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 10.8 p -128.71 167.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -170.24 115.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.68 59.84 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 129.67 18.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -104.73 90.7 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -117.95 138.13 52.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.14 69.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 179.15 3.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 117' ' ' LEU . 0.5 OUTLIER -101.83 20.01 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 m -151.84 153.66 31.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.09 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.52 175.63 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.507 ' CG ' ' N ' ' A' ' 122' ' ' MET . 1.2 t-105 -120.38 160.21 23.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.507 ' N ' ' CG ' ' A' ' 121' ' ' TRP . 4.4 ptp -172.6 143.22 1.19 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.687 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -177.44 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.85 -29.21 8.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.3 OUTLIER -87.05 33.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.57 92.13 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.9 t -169.73 166.74 9.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 t -170.47 145.53 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.33 67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 150.24 67.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.252 . . . . 0.0 112.35 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -167.21 119.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -130.75 89.29 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -175.01 129.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -140.82 147.53 39.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.51 166.4 36.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -160.57 143.35 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -103.78 151.06 23.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -77.99 1.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' THR . 43.9 t -39.87 158.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.954 0.406 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' SER . 9.2 t -34.93 146.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -49.25 -43.35 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.41 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 25.0 m-85 -117.46 82.76 15.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.89 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.84 -31.61 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' CG2' ' CE1' ' A' ' 52' ' ' HIS . 12.3 p -93.63 107.74 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.02 110.73 18.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.6 mt -92.45 137.68 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -116.76 126.2 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.71 126.59 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' GLU . 18.8 t -80.06 98.43 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.0 mt-10 -34.51 -60.07 0.54 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.2 Cg_endo -69.76 143.36 50.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 59.78 42.31 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.1 tpp -131.73 -51.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 164.41 10.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -79.97 -61.55 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -86.06 -53.14 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -39.51 -52.79 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -39.65 -48.61 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.25 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE1' HD22 ' A' ' 34' ' ' LEU . 21.2 t80 -40.62 -50.48 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.04 -43.77 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.1 m -40.64 -62.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.02 -41.14 72.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.478 HD22 ' CE1' ' A' ' 30' ' ' PHE . 28.7 tp -47.91 -57.72 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.16 -58.75 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.043 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -43.97 -42.15 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -64.76 -38.98 92.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -67.29 -54.98 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.04 34.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -119.48 139.86 51.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -83.43 110.06 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.3 t -93.97 125.62 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.5 127.01 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.12 -49.91 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.08 162.88 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.3 118.51 6.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -139.0 153.95 48.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 p -49.94 -27.81 5.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -56.92 -40.52 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.58 108.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.893 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.7 p -95.26 -47.01 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.893 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 6.9 m80 -124.6 143.01 50.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 54' ' ' VAL . 94.6 t -115.74 138.35 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.452 ' N ' HG13 ' A' ' 53' ' ' VAL . 60.6 t -105.89 124.91 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.3 mtt -128.5 117.45 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.41 140.4 29.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 46.13 46.99 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.2 m -121.1 131.69 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -69.35 158.99 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.48 90.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.8 -42.57 49.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -53.51 -44.85 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.91 65.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.65 -50.88 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -49.42 -63.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -43.57 -40.53 4.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' NE2' ' HD2' ' A' ' 81' ' ' PRO . 7.5 tp-100 -67.15 -51.71 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ARG . 54.1 mm-40 -38.1 -48.99 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' GLU . 8.4 mmm180 -36.42 -47.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.9 mtp180 -62.56 -59.54 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.44 -34.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.61 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.91 24.76 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -106.71 151.86 40.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.31 57.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.22 25.08 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 -29.66 12.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.8 p -55.44 126.48 25.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.8 m -98.65 130.84 27.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.707 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD2' ' NE2' ' A' ' 67' ' ' GLN . 53.1 Cg_endo -69.77 172.31 12.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 111.85 20.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -76.04 106.39 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 101' ' ' VAL . 47.6 mt -112.11 174.23 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -108.07 155.42 20.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.5 tp -45.53 -22.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -58.32 -43.78 88.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.99 -54.18 38.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.4 tp -50.75 -61.67 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -46.66 -43.96 18.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.03 -41.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -68.18 -47.65 67.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.51 -51.14 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -14.16 46.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.02 -12.87 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.82 -12.73 21.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -132.66 152.48 80.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.41 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.82 108.85 2.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.68 152.6 95.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 93.74 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.448 ' CG2' HD22 ' A' ' 84' ' ' LEU . 5.4 p -40.08 148.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 101' ' ' VAL . 72.3 mt-10 -130.74 169.18 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 88.1 m -49.57 -49.82 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -49.58 -42.23 43.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -67.35 -43.13 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -53.41 132.8 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 46.9 mt -102.75 95.89 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.77 154.09 43.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 11.7 p -123.04 167.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' A' ' 109' ' ' VAL . . . -175.03 131.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 53.63 63.11 5.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 168.67 20.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.68 172.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.67 141.07 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.31 -114.44 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -176.83 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -131.28 145.38 51.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.6 m -160.49 144.08 10.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -47.28 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.8 -177.34 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -112.88 143.64 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 65.3 mtp -151.97 138.63 12.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -179.85 3.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.39 -31.75 11.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.489 ' O ' ' CG ' ' A' ' 125' ' ' TYR . 2.0 p90 -85.31 34.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.64 84.18 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.3 m -128.95 151.44 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.1 m -158.03 120.93 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -118.2 83.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.23 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 p -149.38 158.18 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 t -121.5 -57.48 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -107.59 112.28 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -118.96 100.45 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.6 164.31 25.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -52.4 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -84.82 -56.35 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.08 -85.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 t -69.47 107.24 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.99 0.424 . . . . 0.0 110.859 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t -52.6 142.54 17.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -52.21 -47.09 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -122.17 83.69 45.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.45 28.7 13.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.3 119.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.47 116.39 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 17' ' ' TYR . 28.6 mt -107.64 139.81 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.455 ' N ' HG21 ' A' ' 16' ' ' ILE . 19.4 t80 -120.67 124.47 45.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.08 130.41 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 22' ' ' ARG . 2.9 t -62.85 149.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.609 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.5 mm-40 -87.46 -68.87 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.71 -51.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 20.9 tpp180 -46.17 -24.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 31.5 mtm -117.96 -68.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' GLU . . . 144.49 175.64 17.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.549 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -77.21 -54.59 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 m -69.68 -57.94 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -45.42 -37.87 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.56 -57.94 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.26 -47.27 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -44.36 -65.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.46 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -40.66 -62.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.57 -49.73 75.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' CD2' HD12 ' A' ' 93' ' ' LEU . 15.2 tp -47.5 -58.61 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.941 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -45.9 -65.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 80.9 mtt180 -37.52 -38.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -72.12 -45.87 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' ALA . 21.7 mmtp -58.54 -42.2 87.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.26 26.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -109.11 143.87 37.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -90.2 115.71 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.0 t -99.85 132.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.43 148.18 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -43.93 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.44 169.18 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.21 146.46 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -172.62 -178.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -82.1 -12.3 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -70.61 -31.86 69.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 107.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.562 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 3.0 p -113.75 -26.84 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.562 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 1.5 m80 -144.79 109.29 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -96.9 122.2 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 55' ' ' MET . 33.8 t -93.28 141.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.432 ' N ' HG12 ' A' ' 54' ' ' VAL . 15.5 mtt -140.72 166.62 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 21.8 mt-10 -133.94 145.87 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 9.2 pt-20 42.87 36.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.1 m -112.42 120.19 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -178.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.57 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.76 -37.52 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.16 -33.25 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.3 -50.83 50.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.6 t -61.35 -30.2 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -75.64 -33.57 60.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CH2' ' NE ' ' A' ' 70' ' ' ARG . 11.2 t90 -75.13 -25.59 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.3 -20.53 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.76 -52.39 60.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -46.45 -31.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' CH2' ' A' ' 66' ' ' TRP . 23.6 mtt-85 -77.34 -63.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mmt -47.14 -21.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.06 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.72 10.77 40.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.37 155.37 71.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.697 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 154.44 67.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.316 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 136.89 34.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 -21.7 43.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.2 t -62.07 125.08 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 90.2 m -78.0 138.41 61.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.595 0.712 . . . . 0.0 111.166 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.7 128.71 16.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 137.48 35.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.26 106.13 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 107' ' ' LEU . 15.3 mt -71.63 110.66 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 107' ' ' LEU . 39.4 mt -109.95 171.34 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -105.91 156.74 18.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tp -45.77 -25.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.8 m -58.7 -42.04 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -64.01 -42.1 97.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.38 -55.39 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.2 p -51.71 -27.78 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -71.92 -44.38 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m -73.79 -37.58 64.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.425 HD12 ' CD2' ' A' ' 34' ' ' LEU . 74.9 mt -62.26 -45.82 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.9 -9.13 87.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.07 -14.29 14.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.77 -16.98 9.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -128.69 151.93 77.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 108.34 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -70.48 151.79 95.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.73 13.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t -42.47 139.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -116.8 160.52 20.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.51 -26.2 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -82.64 -29.91 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.3 -48.52 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -42.82 135.51 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.449 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 13.3 mt -119.26 96.79 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 10.1 tm-20 -152.27 154.9 36.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.408 ' O ' ' CD ' ' A' ' 108' ' ' GLU . 9.9 p -117.88 169.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -174.37 109.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.24 71.41 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.83 24.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.412 ' NH2' HD23 ' A' ' 117' ' ' LEU . 12.9 mmm180 -85.24 159.13 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -135.55 119.31 17.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 69.73 161.2 2.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 179.07 3.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.412 HD23 ' NH2' ' A' ' 113' ' ' ARG . 0.9 OUTLIER -135.05 139.28 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m -134.81 142.41 42.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.689 0.757 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.06 -176.86 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -111.38 136.48 50.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.2 mmm -141.66 127.86 11.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.75 -28.14 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -84.83 23.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -88.44 84.57 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 28.7 p -150.3 129.5 12.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.4 p -155.6 171.27 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -173.36 147.65 9.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 135.29 30.23 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 35.5 p -114.91 147.43 39.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.5 p -150.12 174.15 13.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -136.14 111.37 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -129.91 168.35 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.92 53.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -122.49 119.76 31.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -127.15 125.56 41.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.67 62.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -114.71 108.46 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.419 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -95.71 146.08 24.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -51.18 -46.59 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.499 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 19.6 m-85 -119.96 83.51 30.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.62 16.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.97 30.46 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -148.67 111.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.96 111.96 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.405 ' CG2' HG21 ' A' ' 54' ' ' VAL . 58.6 mt -100.89 135.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -118.4 131.52 56.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.09 136.99 36.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 11.1 t -73.95 158.34 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.612 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.1 mt-10 -87.39 -68.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.74 -51.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 36.8 mmt-85 -52.23 -52.7 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.6 tpp -78.59 -58.73 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.74 -179.8 17.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -84.82 -57.44 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ARG . 69.7 m -72.76 -55.29 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.1 tpt180 -36.59 -40.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 mtp-105 -50.31 -62.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -50.95 15.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -38.78 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.99 -45.75 90.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.6 m -37.92 -53.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.81 -41.25 56.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.04 -60.59 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.28 -58.9 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -43.72 -40.94 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -68.05 -37.01 80.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -67.04 -59.85 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.25 34.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -119.92 145.82 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -91.88 112.76 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.54 129.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.2 mt -97.1 142.84 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.05 -34.63 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.91 167.43 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.3 t -69.46 101.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.7 m -120.64 46.85 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.1 p 42.42 36.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -120.8 -35.4 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.47 104.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.482 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 20.6 p -101.61 -24.1 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.482 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 4.7 m80 -138.63 118.72 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.76 132.12 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.405 HG21 ' CG2' ' A' ' 16' ' ' ILE . 62.2 t -102.44 117.24 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.3 mtt -127.04 132.5 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -119.65 139.07 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 60.15 52.55 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 59' ' ' SER . 87.5 m -140.27 143.28 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 58' ' ' THR . 33.1 m -75.67 172.29 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.24 80.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -48.03 28.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -43.88 -48.89 8.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.78 -51.81 36.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.19 -41.63 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -55.53 -56.8 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -56.44 -33.1 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.05 -37.58 87.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.19 -41.58 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -46.86 -42.05 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' ALA . 8.7 mmp_? -61.58 -62.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -32.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.52 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.04 27.19 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -98.68 153.08 38.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.73 26.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.389 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.64 19.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.38 20.57 74.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.38 157.0 38.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.8 m -111.89 132.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 121.72 8.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.17 13.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.44 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' LEU . 69.4 mt -70.67 97.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -109.82 170.73 7.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.81 159.64 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 tp -45.82 -34.4 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -46.29 -37.31 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -70.11 -40.82 74.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.1 tp -69.17 -57.48 5.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.2 p -47.93 -28.45 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -83.64 -35.19 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -71.32 -35.88 71.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.64 -54.74 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.45 -12.48 39.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.12 -19.89 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.44 -13.75 32.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -131.73 152.12 79.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.499 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.58 150.29 95.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.578 0.704 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 91.95 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.283 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 102' ' ' GLU . 7.5 p -35.09 142.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.445 ' N ' HG21 ' A' ' 101' ' ' VAL . 45.9 mt-10 -116.97 171.34 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.0 p -61.04 -20.42 62.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -79.13 -41.59 28.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -64.41 -43.07 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -52.06 159.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' LEU . 10.1 mt -120.33 127.63 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -174.19 153.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 12.1 p -120.05 162.75 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -169.87 128.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 112' ' ' PRO . . . 61.67 54.45 35.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.74 125.32 12.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.339 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -130.97 164.64 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -107.61 142.21 37.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.13 -152.43 17.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.49 12.55 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.46 168.51 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -102.54 151.77 38.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.35 -175.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -147.69 148.0 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -149.26 141.72 15.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.03 -29.38 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.46 ' O ' ' CG ' ' A' ' 125' ' ' TYR . 0.3 OUTLIER -88.3 27.46 1.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -80.54 93.5 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.5 t -149.77 131.27 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.3 t -159.63 125.73 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -143.51 147.51 18.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 112.35 3.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.7 m -141.47 105.58 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.4 p -41.19 -57.15 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -119.82 108.05 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -50.47 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.24 -146.68 6.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -105.97 156.46 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -53.4 153.31 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.39 -50.78 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -83.35 101.95 11.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -134.45 152.68 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -49.49 -45.98 47.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 3.4 m-85 -130.59 86.59 52.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.48 32.49 6.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -149.56 112.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.97 134.19 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -117.65 152.38 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE2' ' O ' ' A' ' 18' ' ' LEU . 87.7 t80 -131.16 161.14 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.474 ' O ' ' CE2' ' A' ' 17' ' ' TYR . 13.4 mt -133.29 148.56 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 99.6 t -97.39 132.75 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.56 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 9.7 mt-10 -68.39 -55.9 11.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -120.06 -64.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.6 mmm -71.28 -56.33 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.87 -179.36 17.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -76.36 -43.69 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -87.56 -52.02 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ARG . 21.9 tpp180 -39.32 -63.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -34.5 -56.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.81 96.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.3 t80 -47.05 -47.04 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.21 -46.39 17.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -43.62 -57.65 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.68 93.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 26.1 tp -62.16 -59.4 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' HA ' ' CD2' ' A' ' 93' ' ' LEU . . . -53.07 -45.5 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -50.6 -49.78 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.2 t -58.89 -30.58 67.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 26.8 mmtm -72.26 -56.74 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.28 35.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -124.4 128.76 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -82.85 108.8 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -96.55 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.46 132.96 38.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.8 -37.03 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.12 167.87 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 p -72.45 141.39 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -164.49 -177.96 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -76.29 -27.19 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.82 -34.39 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.596 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 25.3 p -96.33 -28.33 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.596 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 24.2 m80 -134.81 155.19 51.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.32 134.94 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.45 127.74 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 mtt -135.56 146.01 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -116.24 158.17 23.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 42.73 27.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 m -110.7 116.47 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -70.81 165.35 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.36 -50.48 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.11 -30.9 71.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -64.22 -53.06 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.17 -54.34 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.3 t -46.67 -38.27 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -60.49 -56.31 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -60.21 -16.0 29.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -84.93 -46.34 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.6 -43.91 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -54.42 -39.24 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.96 -62.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mmt -48.12 -20.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.87 21.55 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.24 151.36 37.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 155.06 66.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.48 32.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.51 -8.63 78.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.7 t -84.18 141.94 30.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 78.8 m -101.75 132.49 21.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 144.98 55.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.06 11.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.85 118.2 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.5 mt -76.98 105.39 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.9 mt -115.4 173.62 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -106.09 157.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 87' ' ' SER . 5.0 tp -50.28 -30.72 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 86' ' ' ILE . 43.7 t -52.73 -27.45 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -75.59 -52.34 10.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.34 -57.46 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.5 p -47.38 -45.83 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.53 -32.56 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 m -78.08 -30.59 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 61.5 mt -71.94 -51.93 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.88 -14.05 60.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.52 -17.39 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.72 -10.99 28.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -132.52 151.82 78.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.522 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.76 108.3 2.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.0 151.2 88.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 116.03 4.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' PRO . 50.9 t -35.88 152.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -125.43 175.95 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 t -66.83 -32.8 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -75.24 -24.6 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -74.99 -53.78 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 mtp-105 -41.39 120.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 45.1 mt -97.82 69.62 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -127.77 151.03 49.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.403 ' CG2' ' H ' ' A' ' 110' ' ' ALA . 8.7 p -122.01 168.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.403 ' H ' ' CG2' ' A' ' 109' ' ' VAL . . . -175.1 127.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.93 63.85 4.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.48 17.63 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.358 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.39 168.65 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -169.37 148.91 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.437 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 63.59 131.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 176.93 6.15 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 118' ' ' SER . 1.7 pp -143.38 153.49 42.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.409 ' N ' HD12 ' A' ' 117' ' ' LEU . 36.5 m -153.52 146.45 17.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 0.0 110.818 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.44 2.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.72 174.27 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -112.73 140.07 47.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -142.85 140.63 18.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -179.55 2.98 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.2 -22.44 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -83.05 0.91 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -131.5 87.84 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.3 t -112.55 136.84 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.4 t -60.99 -31.54 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 65.96 146.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.76 6.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t -82.0 79.78 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.8 p 43.82 41.14 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 66.3 p -36.72 134.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 p -75.74 163.08 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.31 -179.87 47.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -98.96 122.77 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.9 t -43.55 -60.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.34 85.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -121.77 117.09 25.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 t -39.33 147.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -52.05 -46.21 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.443 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 26.4 m-85 -118.49 82.49 19.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.96 24.93 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.7 27.66 19.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.4 t -142.11 114.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.74 128.07 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.417 ' CG2' HG23 ' A' ' 54' ' ' VAL . 24.5 mt -117.91 137.53 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -121.25 128.4 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' CB ' ' HG3' ' A' ' 28' ' ' ARG . 30.0 mt -93.09 140.08 29.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.56 HG21 ' CZ2' ' A' ' 66' ' ' TRP . 65.1 t -85.43 98.53 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 23.5 mt-10 -34.19 -58.8 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' O ' ' C ' ' A' ' 22' ' ' ARG . 53.6 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 21' ' ' PRO . 66.9 mmt-85 -28.61 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.5 ' CB ' ' O ' ' A' ' 19' ' ' VAL . 11.6 tpp -77.73 -60.49 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.2 168.01 11.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -79.67 -49.89 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' ARG . 73.6 m -87.22 -57.6 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -36.33 -39.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' HG3' ' CB ' ' A' ' 18' ' ' LEU . 28.7 ttp180 -57.3 -56.43 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.17 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -40.35 -50.22 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.7 mt -71.29 -49.16 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 93.3 m -34.04 -59.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.46 -44.18 84.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -52.5 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -55.06 12.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -46.5 -46.92 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -60.18 -35.69 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -69.67 -58.71 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.6 34.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.51 134.8 55.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.75 115.43 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.4 t -93.93 120.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.6 mt -76.08 134.93 39.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.29 -48.82 63.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.63 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.44 141.97 58.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 p -172.27 168.07 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -55.67 -33.29 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' ALA . 4.0 mm-40 -45.25 -48.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.11 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.2 p -105.15 -33.92 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -132.35 101.39 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.1 t -85.44 138.42 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.437 ' O ' ' CE ' ' A' ' 23' ' ' MET . 89.5 t -109.57 141.49 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.497 ' CE ' ' CE3' ' A' ' 66' ' ' TRP . 51.8 mtt -139.4 140.25 37.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -117.08 131.31 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.01 42.67 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.4 m -115.61 140.22 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -77.06 154.78 33.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.52 73.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.55 -41.18 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.65 -55.23 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.21 -51.34 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 42.2 t -60.67 -28.39 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -83.3 -30.84 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.56 ' CZ2' HG21 ' A' ' 19' ' ' VAL . 54.8 t90 -78.12 -19.5 53.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.4 pt20 -87.52 -32.65 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.9 mm-40 -55.74 -50.9 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' GLU . 83.3 mmt-85 -34.5 -43.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' ALA . 23.7 mtp180 -71.77 -61.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.7 mmm -45.93 -29.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.05 -55.46 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.72 32.2 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -79.67 157.37 74.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.689 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.36 42.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.5 9.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.08 58.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -56.34 158.23 4.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 80' ' ' PRO . 98.0 m -123.13 136.02 26.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.403 ' N ' HG22 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.81 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.68 176.53 6.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.81 109.28 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.5 mt -70.61 106.96 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 88' ' ' TRP . 27.9 mt -113.12 166.32 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -106.22 156.76 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.5 tp -42.66 -42.72 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.5 m -44.63 -41.05 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.506 ' CD1' HD13 ' A' ' 84' ' ' LEU . 62.8 t90 -61.47 -52.02 66.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' SER . 47.2 tp -55.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -37.97 -50.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -59.0 -39.81 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 16.5 m -67.17 -38.41 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 mt -66.62 -51.82 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.39 -10.51 48.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.501 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.37 -16.9 14.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.98 -14.63 19.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.428 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 27.6 pt20 -129.95 151.21 77.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.443 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.8 Cg_endo -69.75 108.35 2.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.2 m -71.04 148.55 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 84.2 t -34.94 135.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -103.25 171.83 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 p -63.77 -34.39 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -77.05 -38.12 53.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ARG . 46.3 m170 -54.53 -56.39 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' HIS . 75.3 mtt180 -35.86 126.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -109.24 94.1 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.439 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 6.8 tt0 -150.5 153.37 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.7 p -116.47 171.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.09 136.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 47.81 66.26 2.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.36 12.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -126.57 148.14 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.89 149.89 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.4 167.56 25.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 172.03 13.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 117' ' ' LEU . 4.0 pp -130.8 154.5 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m -84.62 144.04 42.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.736 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -46.62 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -172.86 -177.82 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -135.84 147.39 48.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -155.9 142.15 13.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.65 4.33 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.86 -38.37 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.5 OUTLIER -83.88 35.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.14 47.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 65.2 m -149.14 147.84 28.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.6 p -159.79 173.33 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.2 146.2 5.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 t 49.93 35.94 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 75.7 p -83.48 168.78 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -79.18 84.82 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -108.82 149.32 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 -97.92 1.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -159.68 159.14 32.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -126.89 113.94 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.64 -49.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -72.0 145.11 48.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -77.77 147.91 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -46.07 -37.06 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.559 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.5 m-85 -124.73 84.91 57.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.694 0.759 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 53.7 Cg_endo -69.74 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.93 14.26 31.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 15' ' ' ALA . 98.9 t -135.07 134.3 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 111.184 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 14' ' ' VAL . . . -135.86 110.3 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.9 mt -99.56 142.19 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -120.99 129.19 53.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.82 125.54 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 14.6 t -59.19 168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 12.9 mt-10 -96.33 -70.61 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 -53.25 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 33.4 mmt-85 -38.53 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.471 ' HE1' ' N ' ' A' ' 19' ' ' VAL . 2.9 mpp? -111.71 -73.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.93 -171.46 27.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 22.9 mtm105 -79.47 -59.3 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ARG . 29.2 t -69.17 -63.1 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 21.7 ttm180 -37.8 -31.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 15.1 ttm180 -69.55 -60.81 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.0 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' CE2' HD22 ' A' ' 31' ' ' LEU . 5.0 t80 -41.2 -57.37 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 30' ' ' PHE . 20.0 mt -71.25 -51.55 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.4 m -37.68 -49.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.6 -48.55 10.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 tp -49.1 -55.79 11.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -62.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.8 mtp85 -45.02 -36.56 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -69.76 -37.6 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -71.28 -57.55 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.33 33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -129.52 118.18 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 12' ' ' PRO . 6.1 ptp180 -66.82 139.55 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -110.89 119.14 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 mt -77.8 137.71 38.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.68 -50.21 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.11 170.76 10.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 m -59.56 114.62 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.9 p -134.53 151.21 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 p -50.86 -32.13 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ALA . 3.8 mm-40 -50.29 -42.73 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.03 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 41.4 p -103.73 -33.07 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -137.01 129.81 30.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.76 152.21 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 55' ' ' MET . 47.7 t -121.99 139.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.436 ' N ' HG11 ' A' ' 54' ' ' VAL . 21.1 mtt -144.91 118.28 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -96.74 143.33 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 52.37 46.53 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.7 m -129.52 150.55 50.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.9 t -88.8 157.98 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.67 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.01 -41.2 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -53.37 -50.04 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.43 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.1 t -48.66 -38.13 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -47.76 76.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.494 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t90 -63.75 -22.4 66.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.435 ' NE2' ' HG2' ' A' ' 81' ' ' PRO . 3.9 tp-100 -82.37 -54.17 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -41.03 -44.95 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -46.6 -40.79 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 12.6 mtp-105 -72.85 -52.25 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.32 -35.14 36.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.19 8.05 23.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -86.29 145.55 40.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 162.63 41.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.396 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.63 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.57 -36.69 3.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.46 125.88 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.7 m -84.49 137.26 39.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 132.61 23.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.435 ' HG2' ' NE2' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 156.29 63.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.48 124.98 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.3 mt -87.52 98.16 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' O ' ' CD1' ' A' ' 107' ' ' LEU . 46.1 mt -100.5 171.17 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 p30 -106.35 162.37 13.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 87' ' ' SER . 8.0 tp -51.9 -27.03 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.417 ' N ' HG21 ' A' ' 86' ' ' ILE . 6.8 t -59.29 -33.91 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -69.02 -54.16 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.05 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -39.11 -58.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -50.55 -45.48 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' GLY . 33.3 m -59.8 -56.06 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.9 mt -51.42 -44.81 62.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -16.69 74.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 -13.5 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . . . 77.79 -12.9 14.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -130.7 151.59 79.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.79 108.25 2.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.8 m -71.01 151.24 94.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.7 Cg_endo -69.78 114.84 3.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' PRO . 79.8 t -34.48 143.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.13 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.21 -37.89 88.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -73.14 -37.3 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -57.92 -57.19 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -42.31 117.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 9.6 mt -98.43 98.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -151.52 156.45 40.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' CG2' ' H ' ' A' ' 110' ' ' ALA . 10.0 p -126.61 167.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' H ' ' CG2' ' A' ' 109' ' ' VAL . . . -173.07 109.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.84 67.02 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.81 7.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -81.87 166.2 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -129.71 23.0 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.38 88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 175.4 8.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 118' ' ' SER . 1.2 pp -120.15 157.99 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.403 ' N ' HD12 ' A' ' 117' ' ' LEU . 84.7 p -114.94 141.95 27.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.741 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.35 3.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -166.71 171.76 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -93.9 137.67 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -141.62 138.8 17.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.56 14.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.64 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 126' ' ' ALA . 5.9 p90 -71.59 -55.22 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' TYR . . . 36.75 40.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 30.9 p -136.38 139.12 42.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -112.33 122.63 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.32 147.8 7.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.9 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.346 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.2 p -162.91 130.62 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.9 m -140.06 148.47 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -104.64 176.98 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -115.21 95.53 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.63 51.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -98.13 103.63 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -147.23 130.21 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.6 178.69 42.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -153.79 109.76 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.417 ' CG2' ' HA ' ' A' ' 12' ' ' PRO . 12.4 t -161.19 137.26 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -48.66 -46.09 39.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 37.8 m-85 -118.97 84.34 25.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' HA ' ' CG2' ' A' ' 9' ' ' THR . 53.5 Cg_endo -69.76 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.9 26.47 19.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -142.9 124.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -122.79 116.21 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 17' ' ' TYR . 51.6 mt -107.56 137.29 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' N ' HG21 ' A' ' 16' ' ' ILE . 45.5 t80 -115.65 126.91 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.7 mt -100.84 127.57 47.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 4.6 t -75.22 157.87 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mm-40 -87.97 -69.1 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.73 -51.75 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 36.6 mmt-85 -51.7 -56.05 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.1 ttm -77.79 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.46 155.58 7.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 26' ' ' SER . 35.5 ptt180 -73.79 -43.28 59.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 39.4 m -87.02 -48.53 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -46.42 -55.2 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ARG . 4.2 tmt_? -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.37 66.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -41.41 -60.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' THR . 65.9 mt -65.28 -46.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 98.8 m -35.33 -55.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.48 -41.88 57.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.0 tp -52.66 -54.04 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -52.9 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -38.44 -39.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -66.64 -44.76 81.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' ALA . 36.0 mmtt -65.89 -50.59 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 35.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -126.79 127.05 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -79.44 113.6 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.4 133.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.6 mt -86.44 142.41 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.48 -57.33 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.05 160.1 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -48.16 115.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -142.77 153.7 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -45.87 -43.55 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 29.2 mm-40 -39.24 -44.62 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.92 118.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.417 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 17.2 p -121.8 -27.84 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.417 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 22.3 m80 -137.67 116.0 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.57 125.44 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.0 t -100.19 123.29 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.406 ' HE2' ' CE3' ' A' ' 66' ' ' TRP . 40.8 mtt -127.29 129.89 48.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -99.69 143.3 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 46.0 50.34 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.437 HG21 ' N ' ' A' ' 59' ' ' SER . 88.3 m -125.16 146.21 49.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.437 ' N ' HG21 ' A' ' 58' ' ' THR . 48.1 m -86.83 152.4 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.47 -46.79 48.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.9 -44.52 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.88 -50.48 60.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.9 -60.12 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.7 t -47.89 -44.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -53.25 -57.89 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.406 ' CE3' ' HE2' ' A' ' 55' ' ' MET . 12.5 t90 -52.11 -38.24 56.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -61.17 -41.8 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -45.29 -48.88 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -43.91 -55.14 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' NH2' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mtt180 -54.44 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 mmt -44.47 -23.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.55 -39.39 46.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.56 19.8 18.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.91 152.71 38.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.45 56.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 150.49 68.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.31 -40.89 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -50.42 125.43 12.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.1 m -88.99 132.79 36.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 0.0 111.077 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 146.28 59.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.47 56.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.42 115.64 17.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.1 98.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 52' ' ' HIS . 48.5 mt -99.02 172.71 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.0 p30 -105.58 150.36 25.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.454 ' C ' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -45.48 -44.58 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.451 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 32.8 t -42.93 -46.52 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.486 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 62.9 t90 -56.99 -36.71 70.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 tp -65.34 -55.22 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.404 HG23 ' CD1' ' A' ' 86' ' ' ILE . 43.0 p -56.95 -15.65 5.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.16 -35.75 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.6 m -75.46 -42.52 52.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.28 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.72 -15.98 67.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.72 -11.95 31.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -136.74 152.07 73.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.79 108.31 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.431 HG21 ' NE1' ' A' ' 88' ' ' TRP . 25.9 m -67.55 151.95 96.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 111.15 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 102' ' ' GLU . 95.1 t -41.43 134.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 101' ' ' VAL . 20.6 mt-10 -102.11 177.18 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.51 -19.75 60.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -92.68 -25.99 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.486 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 36.7 m170 -69.13 -37.85 78.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -57.0 106.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 37.7 mt -89.49 109.97 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -164.74 155.19 14.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.3 p -126.02 170.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.06 109.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.87 63.83 2.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 120.16 7.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -71.56 136.99 47.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.68 22.77 15.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 148.57 -98.29 0.19 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.89 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.87 75.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m -156.73 126.29 3.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -50.3 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.56 176.73 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -106.82 137.37 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.8 mmt -135.5 134.83 21.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.671 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 175.2 8.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.74 -41.99 64.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 44.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.56 86.33 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.49 143.56 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.1 t -41.53 136.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 135.9 70.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.56 12.43 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -169.08 144.94 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.7 p -140.36 174.5 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -49.76 165.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 m -111.27 -66.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.55 -144.12 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -145.59 157.18 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.825 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -127.85 102.82 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.86 -165.54 40.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -102.17 97.81 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.935 0.398 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -171.07 151.07 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 8.5 mmt180 -45.71 -47.49 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.553 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 53.5 m-85 -134.77 89.09 26.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 2.97 3.02 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.61 0.45 32.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -125.79 121.18 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.77 120.27 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' CG2' HG22 ' A' ' 54' ' ' VAL . 64.8 mt -104.76 143.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 11.8 t80 -121.79 136.34 54.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 mt -105.92 123.84 48.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 47.7 t -77.77 117.72 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 3.4 mm-40 -44.32 -60.27 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.77 166.43 27.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? 40.97 48.92 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.3 tpp -130.43 -59.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.54 176.68 18.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -77.32 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ARG . 69.4 m -94.97 -41.19 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' SER . 37.5 mtt180 -36.79 -40.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -52.0 -57.29 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.36 -50.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -40.2 -48.17 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.0 mt -71.22 -47.45 57.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.1 m -44.32 -53.53 6.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.32 -44.71 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.3 tp -50.84 -60.81 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -43.6 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.48 -49.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -59.15 -41.21 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' ALA . 35.1 mmtm -64.88 -49.79 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 143.24 33.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -123.78 135.77 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -81.95 109.45 16.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.4 t -92.56 130.19 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.17 146.05 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.3 -46.68 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . . . -133.23 -71.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -165.54 150.9 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 49' ' ' GLU . 2.0 m -174.06 153.8 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -44.05 -22.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 51' ' ' THR . 24.7 mm-40 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.728 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.3 p -93.02 -20.97 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.728 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 14.8 m80 -152.76 135.46 15.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.91 126.06 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG22 ' CG2' ' A' ' 16' ' ' ILE . 76.2 t -96.84 129.75 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.6 mtt -128.41 122.16 30.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' GLU . 17.1 mt-10 -91.53 155.37 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' GLU . 18.8 mm-40 35.92 37.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.4 m -112.65 140.06 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -75.75 179.53 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.17 -43.05 44.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.13 -42.45 80.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -49.81 -57.58 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.29 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 65' ' ' SER . 6.2 p -45.47 -39.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.453 ' N ' HG11 ' A' ' 64' ' ' VAL . 6.9 t -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -69.48 -21.1 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.453 ' HB2' ' CD1' ' A' ' 83' ' ' LEU . 13.1 tt0 -68.95 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.77 -36.38 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -53.53 -34.94 60.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -60.43 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mmt -49.47 -30.92 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.79 10.99 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.6 146.02 30.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 166.05 28.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.25 69.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.39 -41.48 2.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.26 126.35 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 92.0 m -84.24 139.11 39.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 111.163 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.5 Cg_endo -69.83 145.53 57.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 160.31 50.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.63 106.32 18.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 67' ' ' GLN . 51.0 mt -67.27 115.39 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 101' ' ' VAL . 15.8 mt -123.73 173.58 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -105.65 154.43 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.39 -47.85 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.481 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 5.9 t -40.28 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -58.22 -42.05 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 86' ' ' ILE . 15.0 tp -59.45 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.1 p -47.74 -38.53 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.64 -40.05 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.1 m -71.22 -40.41 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.404 ' CD2' ' HG3' ' A' ' 38' ' ' LYS . 6.7 mt -61.71 -54.73 38.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.62 -16.18 49.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.11 -15.87 18.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.95 -9.6 30.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -135.36 151.81 75.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.85 108.35 2.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.59 151.92 96.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 84' ' ' LEU . 1.9 p -38.55 143.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.87 176.37 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -61.88 -35.97 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -67.78 -19.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -83.52 -50.94 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -42.8 159.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -129.45 102.95 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 109' ' ' VAL . 45.9 tt0 -151.31 161.13 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 3.9 p -128.98 170.86 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.06 134.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.63 73.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 113' ' ' ARG . 53.8 Cg_endo -69.75 138.05 36.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 112' ' ' PRO . 11.5 ptp180 33.39 42.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -142.85 159.2 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.98 64.96 0.58 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.84 3.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.353 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.44 143.61 41.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 m -120.81 79.14 31.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.702 0.763 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.56 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.728 2.286 . . . . 0.0 112.305 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.06 128.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -101.22 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 70.4 mtp -115.76 140.35 25.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.432 ' HB2' ' CD1' ' A' ' 125' ' ' TYR . 54.1 Cg_endo -69.77 163.35 38.59 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.81 -38.89 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.437 ' CG ' ' N ' ' A' ' 126' ' ' ALA . 8.4 p90 -54.14 -43.34 70.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 125' ' ' TYR . . . -39.22 126.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 32.0 p -141.99 158.98 43.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 128.67 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.37 84.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 133.21 25.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -75.01 162.18 28.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.2 p -151.5 149.44 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -110.04 -60.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -100.04 95.02 6.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.65 152.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -131.03 -44.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -126.82 148.97 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.29 120.33 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 p -121.35 126.4 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.407 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -168.74 140.1 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -44.77 -53.17 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.532 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.6 m-85 -122.03 89.85 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -45.28 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.15 -37.0 45.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.5 t -82.47 105.66 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.67 122.69 48.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.455 ' CG2' HG22 ' A' ' 54' ' ' VAL . 33.6 mt -108.2 135.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -114.55 123.02 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.51 119.94 28.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.409 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 79.2 t -70.58 107.27 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 21.7 mt-10 -39.46 -60.11 1.38 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.0 Cg_endo -69.74 147.46 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 55.99 51.09 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 tpp -131.92 -43.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.09 177.76 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.12 -64.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' ARG . 75.1 m -87.11 -47.77 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' SER . 18.5 tpp180 -34.55 -56.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -41.95 -55.43 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.62 -51.9 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -39.27 -41.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.32 -49.42 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -39.51 -55.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.31 -45.14 56.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 tp -53.4 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.5 -62.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -41.17 -45.15 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -63.42 -42.46 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' HB2' ' CE2' ' A' ' 40' ' ' PHE . 49.9 mmtt -62.64 -48.21 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.08 31.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 10.1 m-85 -121.59 123.71 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -72.35 117.41 13.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -89.12 122.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.5 135.1 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.54 -62.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.77 -74.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -171.36 119.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 m -125.38 37.14 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 t 48.77 29.48 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 11.6 mt-10 -114.9 -29.94 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.63 120.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.778 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 19.3 p -126.47 -29.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.778 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 4.5 m80 -132.41 112.15 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -93.95 133.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.455 HG22 ' CG2' ' A' ' 16' ' ' ILE . 46.8 t -104.11 131.86 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 22.3 mtt -134.36 144.07 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLU . 18.6 mt-10 -109.83 144.12 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . 7.1 pt-20 34.32 39.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.7 m -104.16 137.5 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -69.87 170.53 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.32 -38.73 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.0 -41.19 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.58 -33.71 23.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.78 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.1 p -49.18 -29.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 t -82.04 -37.12 26.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.37 -25.1 64.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -79.32 -28.73 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 5.5 mm-40 -53.43 -42.44 67.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -49.88 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.8 mtp180 -58.78 -62.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.7 mmt -41.01 -32.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.6 -52.67 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.79 30.23 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -99.83 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.548 0.689 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.44 63.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 125.84 12.58 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.34 -35.93 4.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.69 133.59 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 52.8 m -91.84 137.77 25.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.83 115.08 3.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 142.43 47.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.31 110.21 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 115.26 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.9 mt -115.55 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -105.78 150.19 25.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.481 ' CD1' HG22 ' A' ' 90' ' ' THR . 0.0 OUTLIER -44.04 -42.86 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.414 ' N ' ' CG2' ' A' ' 86' ' ' ILE . 11.0 t -41.05 -44.22 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.455 ' NE1' HG21 ' A' ' 99' ' ' VAL . 76.2 t90 -55.77 -54.27 46.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.0 tp -47.31 -64.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.481 HG22 ' CD1' ' A' ' 86' ' ' ILE . 78.4 p -44.82 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -63.22 -40.72 98.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 m -65.63 -52.41 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.8 mt -54.52 -53.28 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.23 -16.21 33.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.92 -13.08 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.81 17.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.58 152.46 77.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.82 108.89 2.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.455 HG21 ' NE1' ' A' ' 88' ' ' TRP . 25.9 m -73.08 152.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.64 19.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.05 146.52 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.43 ' HG2' ' CG ' ' A' ' 105' ' ' HIS . 11.7 pt-20 -127.46 173.91 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.58 -51.32 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -56.44 -40.61 75.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.43 ' CG ' ' HG2' ' A' ' 102' ' ' GLU . 32.9 m170 -58.31 -51.5 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -48.03 151.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 mt -133.75 111.74 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -160.31 164.5 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.0 p -134.88 168.52 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.09 137.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.92 64.95 3.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.66 8.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtm-85 -124.15 158.56 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -106.76 22.78 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 140.86 84.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.45 10.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.232 . . . . 0.0 112.382 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.12 128.69 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.3 p -127.31 142.84 45.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.678 0.751 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -50.12 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.97 170.25 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -101.57 149.33 24.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.458 ' HB3' ' CB ' ' A' ' 126' ' ' ALA . 21.7 mtp -156.77 128.85 4.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.403 ' HB2' ' CE1' ' A' ' 125' ' ' TYR . 53.8 Cg_endo -69.75 164.56 34.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.84 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.403 ' CE1' ' HB2' ' A' ' 123' ' ' PRO . 27.7 p90 -83.07 41.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 122' ' ' MET . . . -117.36 99.71 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 34.7 m -109.96 91.33 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.8 t -166.34 144.08 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.46 132.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 168.76 20.54 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.3 p -154.15 151.86 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.2 t -89.25 -59.7 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -62.93 120.52 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -154.99 148.73 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.94 -165.45 9.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -174.84 172.88 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -124.7 134.95 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 67.89 79.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.1 m -34.53 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -124.15 153.12 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -73.35 -42.21 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 97' ' ' GLN . 20.7 m-85 -117.39 83.04 15.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.79 28.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.91 29.98 5.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.2 t -149.87 117.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.33 117.29 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.444 ' CG2' HG22 ' A' ' 54' ' ' VAL . 30.0 mt -102.8 139.7 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.536 ' CZ ' ' SG ' ' A' ' 46' ' ' CYS . 53.8 t80 -119.56 145.28 46.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mt -123.55 128.98 50.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 23' ' ' MET . 47.5 t -56.02 151.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.59 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.8 mp0 -84.81 -67.54 0.18 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.8 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' C ' ' O ' ' A' ' 21' ' ' PRO . 4.1 ttm180 -25.72 -67.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.46 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 27.9 tpp -56.2 -47.27 78.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' PRO . . . 129.0 152.77 7.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -86.77 -55.05 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 p -74.84 -46.13 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -55.98 -39.73 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -50.39 -52.99 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.97 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -41.16 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' THR . 21.7 mt -64.23 -48.8 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.505 ' CG2' ' NH2' ' A' ' 36' ' ' ARG . 79.3 m -36.8 -61.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.41 98.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.8 tp -54.3 -55.26 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.01 -52.66 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.505 ' NH2' ' CG2' ' A' ' 32' ' ' THR . 77.6 mtt180 -45.36 -40.25 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -67.56 -42.14 83.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -64.3 -44.41 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.57 30.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -109.42 128.16 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -78.92 109.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 t -95.86 135.6 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -94.81 144.83 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.53 -47.61 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.48 168.71 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' A' ' 17' ' ' TYR . 4.1 m -77.11 115.69 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -142.25 163.84 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.0 p -49.88 -42.02 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.0 -39.39 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.18 105.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.453 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 1.2 p -94.22 -29.86 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.453 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 1.9 m80 -134.54 156.55 48.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 126.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG22 ' CG2' ' A' ' 16' ' ' ILE . 35.1 t -95.81 134.94 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.3 mtt -142.37 142.03 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.43 156.41 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 39.69 47.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.401 ' CG2' ' NH1' ' A' ' 22' ' ' ARG . 86.1 m -126.54 135.31 51.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.5 p -76.01 163.42 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.0 85.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.12 -42.42 60.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.37 -60.77 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -41.85 -58.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 46.2 t -50.37 -29.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -76.15 -35.92 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -72.89 -27.2 61.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -84.99 -24.3 28.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.13 -53.12 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -39.88 -42.31 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.5 mtp85 -67.82 -60.41 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.9 mmm -44.25 -33.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -55.16 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.49 27.19 9.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -75.03 154.33 86.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 162.69 41.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 126.47 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.02 11.97 66.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.1 t -73.9 157.44 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.465 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 95.9 m -117.36 139.06 25.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.8 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 155.08 66.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.62 109.12 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.454 HD13 ' CB ' ' A' ' 63' ' ' ALA . 14.7 mt -74.85 99.09 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.1 mt -97.22 167.04 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -105.98 157.1 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 tp -44.42 -33.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -51.88 -41.5 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -64.39 -50.95 65.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.54 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 p -46.33 -44.7 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.87 -31.84 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -77.29 -47.35 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.1 mt -59.47 -47.02 87.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.24 -14.57 68.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.2 -14.52 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.6 -10.4 17.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 21.4 pt20 -132.65 152.25 79.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.81 108.6 2.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.3 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.16 152.66 92.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.16 9.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -47.12 146.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 5.0 pt-20 -131.16 178.05 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 m -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -47.08 -41.94 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.478 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 56.0 m170 -60.45 -49.83 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -50.07 120.37 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.37 75.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.438 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 16.2 tt0 -130.91 158.81 39.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.3 p -120.83 170.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.14 124.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.32 67.04 2.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.6 14.81 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -126.68 136.44 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -96.39 160.52 14.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.89 -151.31 51.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 177.47 5.52 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.67 152.14 51.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.1 p -138.56 143.9 40.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -173.92 -175.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -121.01 137.3 54.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mmm -139.05 133.57 16.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -173.86 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.55 -28.39 11.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 1.7 p90 -90.01 35.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.51 89.04 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.8 p -173.15 136.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.9 p -142.7 175.91 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.93 83.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 166.37 27.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.372 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.8 t -157.75 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 t -155.15 177.66 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -120.71 116.31 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 47.2 43.19 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.33 64.77 3.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -59.99 147.64 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -81.35 -47.95 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 -72.08 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.6 p -161.59 146.47 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -39.82 160.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -57.85 -39.89 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -131.71 81.37 63.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.83 27.29 19.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.3 t -148.1 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.99 113.91 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.0 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -127.07 124.72 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.01 121.66 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 20' ' ' GLU . 89.9 t -71.01 94.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.2 mt-10 -33.49 -60.17 0.44 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.75 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 74.65 36.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.5 tpp -123.71 -54.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.04 154.1 7.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -72.83 -57.19 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -96.28 -11.07 26.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -70.04 -37.67 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -56.75 -54.48 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.7 t80 -40.86 -40.97 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -89.7 -45.99 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.2 m -38.1 -66.26 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.66 81.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.0 -60.8 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.27 -47.39 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -45.31 -52.01 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -59.31 -32.21 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -72.99 -49.15 30.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.62 32.83 0.15 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -119.47 116.29 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -71.27 110.77 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -90.92 127.27 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -81.43 129.35 34.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.65 -48.77 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.49 174.66 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.38 108.05 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -128.38 168.43 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -60.62 -36.06 77.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 39.4 mt-10 -44.41 -37.1 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.77 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.416 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 38.5 p -108.13 -29.43 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 39.3 m80 -136.53 113.66 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 t -94.06 130.38 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.36 128.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.504 ' HE2' ' CE3' ' A' ' 66' ' ' TRP . 0.3 OUTLIER -123.96 148.08 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.88 145.46 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 42.44 41.29 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 59' ' ' SER . 25.1 m -115.26 158.16 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.402 ' N ' HG21 ' A' ' 58' ' ' THR . 17.6 m -92.13 165.67 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.3 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.69 -44.87 63.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -49.33 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.31 -55.37 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.412 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 60.6 t -48.68 -39.26 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -58.53 -57.16 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.504 ' CE3' ' HE2' ' A' ' 55' ' ' MET . 52.9 t90 -53.25 -31.25 42.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -71.5 -39.21 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.48 -40.5 96.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.88 -29.64 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 4.6 mtp-105 -82.38 -61.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmt -40.13 -31.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.21 -45.43 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -101.44 21.86 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.62 146.81 33.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 160.72 48.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.28 37.41 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.63 -28.93 9.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.84 155.32 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -116.98 130.46 24.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 113.64 3.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.56 126.31 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 56.9 mt -78.8 101.36 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -118.26 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 42.2 p30 -106.16 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.02 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -52.9 -29.18 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -72.53 -48.37 40.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.09 -56.12 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.2 p -43.39 -34.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.18 -45.92 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 m -60.84 -29.49 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.1 mt -73.59 -50.96 18.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.35 -10.35 59.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.75 -16.7 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.17 47.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -136.72 151.5 72.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 108.33 2.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.381 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.58 151.66 91.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 130.59 19.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 78.1 t -37.94 154.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 105' ' ' HIS . 72.0 mt-10 -135.77 158.91 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 67.0 m -50.79 -31.46 16.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -75.73 -43.32 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 102' ' ' GLU . 13.8 m170 -60.36 -49.12 78.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -43.78 123.77 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.89 67.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -123.94 165.24 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.37 170.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.08 113.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.94 64.82 2.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 143.04 49.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -71.66 114.81 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 30.0 tptt -143.67 154.92 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.467 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 92.83 -168.06 30.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 172.04 13.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.7 146.44 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -122.2 77.21 42.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 90.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.23 108.8 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -106.34 175.88 5.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -120.6 140.71 30.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -174.26 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.25 -1.9 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -115.59 45.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -120.75 38.15 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -97.1 96.72 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.6 m -83.64 154.41 23.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 146.56 154.57 6.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 121.43 8.11 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 83.8 p -104.31 157.65 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.0 t -141.75 173.3 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -97.62 88.61 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -158.72 153.12 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.58 44.26 3.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -117.72 125.28 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -173.27 130.35 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.54 -76.58 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 t -52.85 141.11 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -54.92 156.84 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.57 -43.32 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 11.5 m-85 -127.45 87.05 57.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.84 5.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.13 51.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.533 HG13 ' CE1' ' A' ' 52' ' ' HIS . 98.1 t -95.73 110.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.76 113.03 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 mt -100.69 135.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 4.0 t80 -127.86 129.57 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -95.38 165.51 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 10.6 t -93.16 169.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.6 mm-40 -96.03 -70.55 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.664 0.745 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.73 -54.13 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 1.6 mmp_? -35.19 -53.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.42 ' HG2' ' NH2' ' A' ' 28' ' ' ARG . 3.2 mpp? -99.06 -69.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.06 133.66 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -46.7 -49.56 19.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.84 -53.88 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -44.96 -38.9 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 28' ' ' ARG . 5.1 mmp_? -60.99 -66.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ARG . . . -35.95 -38.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -54.53 -54.15 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LEU . 12.0 mt -76.22 -45.77 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' LEU . 99.2 m -34.14 -46.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.56 -33.4 31.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 24.1 tp -60.94 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -51.67 -44.04 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -62.46 -24.38 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -82.82 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.12 34.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -125.59 124.0 40.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -73.41 113.55 10.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.7 t -93.53 125.84 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.05 129.62 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.36 -55.53 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.93 145.15 38.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.3 p -48.32 129.56 15.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -152.38 165.57 34.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.9 m -52.81 -49.19 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 50' ' ' ALA . 5.9 mt-10 -35.98 -44.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.56 106.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.852 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 25.9 p -106.54 -28.65 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.852 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 2.6 m80 -135.13 130.1 34.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.89 128.24 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 55' ' ' MET . 42.0 t -104.48 139.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.423 ' N ' HG11 ' A' ' 54' ' ' VAL . 9.3 mtt -142.37 154.81 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -123.89 151.62 43.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 43.68 35.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -111.16 140.38 45.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -79.02 163.91 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.87 78.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.18 -30.28 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -57.76 -41.43 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.12 -51.27 70.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -52.88 -31.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.2 -28.26 48.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.425 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 14.3 t90 -80.94 -23.41 38.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.4 -31.96 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.02 -43.33 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -56.57 -30.59 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 5.2 mmm180 -63.18 -71.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.0 mmt -45.8 -25.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.39 9.53 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.06 156.59 54.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.18 10.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.222 . . . . 0.0 112.375 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.49 -38.59 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.1 130.77 48.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 99.8 m -80.53 138.85 51.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.171 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.73 142.1 47.12 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.28 128.15 35.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 35.2 mt -84.23 94.37 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 101' ' ' VAL . 7.7 mt -99.71 171.34 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -105.62 152.94 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 tp -47.19 -25.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.5 m -53.42 -34.93 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.558 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 66.7 t90 -75.99 -41.41 51.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.16 -61.68 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 45.9 p -44.09 -55.17 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.87 -49.14 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.6 m -57.97 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.94 -41.89 95.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.25 -10.68 84.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.97 -14.88 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.27 -10.09 17.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -133.37 152.35 79.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.567 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.77 108.1 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.3 m -71.07 153.3 94.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.462 HG21 ' CD2' ' A' ' 84' ' ' LEU . 2.2 p -37.63 133.75 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -104.06 170.76 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.49 -39.54 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -58.9 -40.59 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 6.8 m170 -62.4 -37.52 86.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -62.09 144.08 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.83 103.02 10.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -148.71 154.4 39.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 110' ' ' ALA . 13.7 p -123.89 166.68 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.419 ' N ' ' CG2' ' A' ' 109' ' ' VAL . . . -172.15 110.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.35 65.71 2.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 123.32 10.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.282 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -44.53 126.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' A' ' 114' ' ' LYS . 1.9 tmtm? -113.5 22.71 13.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.17 76.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 pp -126.02 157.08 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.1 p -65.28 122.5 80.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.89 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 65.78 26.24 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -106.0 178.88 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.459 ' HB3' ' CB ' ' A' ' 126' ' ' ALA . 26.2 mtp -120.36 141.56 32.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.717 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 178.76 4.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.63 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.518 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 9.8 p90 -89.24 25.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 122' ' ' MET . . . -97.0 43.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 32.1 p -168.47 167.63 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 95.4 p -157.76 168.23 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -161.11 143.68 9.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.53 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.4 p -144.29 116.13 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.9 m -137.19 155.67 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -53.85 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -86.13 167.72 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.17 -140.64 2.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -55.72 178.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -164.55 177.68 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -73.94 -39.84 45.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.434 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' THR . 45.3 t -38.07 157.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.953 0.406 . . . . 0.0 110.811 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.1 t -34.09 146.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.06 -45.17 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.6 m-85 -129.73 84.63 60.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.439 ' N ' HG22 ' A' ' 9' ' ' THR . 53.4 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -32.32 3.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 52' ' ' HIS . 2.4 p -98.08 110.95 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . . . -114.64 110.55 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mt -89.31 134.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 3.1 t80 -120.74 124.69 45.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.24 130.87 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' GLU . 66.1 t -86.82 102.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 6.2 mt-10 -37.7 -60.24 0.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.74 144.99 55.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 60.13 42.3 15.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.9 ttm -131.27 -67.55 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.7 171.32 22.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -80.52 -57.53 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -90.5 -43.74 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -39.19 -58.04 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.6 tmm_? -36.78 -64.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.43 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -40.06 -43.89 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.83 -44.81 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.8 m -41.12 -60.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.85 -39.02 94.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 tp -53.56 -59.08 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.77 -70.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptp180 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 45.4 t -65.52 -40.49 93.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 37.5 mmtt -69.58 -41.84 75.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.81 31.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -126.46 126.1 43.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -65.26 113.16 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.3 t -90.92 119.32 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 15' ' ' ALA . 5.9 mt -92.25 144.36 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.49 -33.61 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.72 158.29 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.05 109.3 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -128.17 43.77 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m 54.84 28.95 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.32 -36.77 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.09 107.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.542 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 7.5 p -106.67 -33.01 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.56 ' CE1' HG22 ' A' ' 14' ' ' VAL . 12.9 m80 -131.18 116.59 17.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 54' ' ' VAL . 71.7 t -94.65 138.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.448 ' N ' HG12 ' A' ' 53' ' ' VAL . 94.9 t -111.41 134.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.413 ' N ' HG13 ' A' ' 54' ' ' VAL . 34.5 mtt -140.9 145.84 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -112.82 144.46 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 44.54 51.48 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -120.72 144.7 48.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -82.59 156.22 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.76 -48.99 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.23 -42.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.76 -59.65 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -43.11 -60.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.8 t -39.52 -45.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -50.5 -53.67 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -65.59 -34.18 77.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -58.19 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.6 mm-40 -47.46 -50.67 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' GLU . 22.2 mmt180 -34.54 -46.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.93 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.03 -29.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.32 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.89 31.22 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.55 152.33 46.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.72 23.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.52 35.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.05 -41.86 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.7 t -51.51 123.6 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.74 153.87 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.37 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 158.45 56.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.22 113.1 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 87.2 mt -70.72 116.53 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.6 mt -121.73 166.89 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.6 p30 -107.15 155.46 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.428 HG13 ' CG2' ' A' ' 90' ' ' THR . 9.5 tp -39.24 -42.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.6 t -37.94 -47.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.31 -62.77 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.8 tp -48.04 -60.45 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.428 ' CG2' HG13 ' A' ' 86' ' ' ILE . 30.6 p -44.01 -39.19 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.64 -53.04 14.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -53.93 -41.78 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.412 ' CD2' ' HG3' ' A' ' 38' ' ' LYS . 22.5 mt -64.99 -53.39 46.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.25 -7.26 24.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.22 -21.48 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.18 -16.31 39.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -128.15 152.54 77.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.431 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.1 Cg_endo -69.77 108.14 2.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.212 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.92 152.4 93.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' VAL . 54.1 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.393 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' PRO . 97.5 t -33.84 146.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -129.33 158.13 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.48 -45.03 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -60.77 -39.9 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.37 -53.64 40.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -44.63 133.0 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 77.6 mt -116.3 97.48 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -156.69 151.27 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.77 169.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.07 134.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.41 65.54 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.57 3.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.85 140.76 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -154.18 115.64 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 46.35 -157.78 0.42 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.55 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.408 HD21 ' N ' ' A' ' 117' ' ' LEU . 2.1 pt? -131.99 141.42 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 p -81.96 142.9 48.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.23 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -172.36 171.59 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -111.81 148.37 33.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.0 ptm -155.16 121.2 2.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 171.21 14.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.09 -37.22 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 1.7 p90 -81.91 39.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.83 41.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 86.3 m -144.96 124.92 13.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.9 p -160.18 142.41 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.42 125.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.3 t -159.55 154.02 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.4 m -153.29 160.55 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -171.03 151.34 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -119.95 152.75 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.88 155.03 26.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -105.17 129.11 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -132.62 100.62 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.49 -128.81 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -121.31 -70.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 t -175.31 137.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -48.9 -42.8 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' CD2' ' HD3' ' A' ' 98' ' ' PRO . 14.1 m-85 -120.25 83.75 33.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.81 18.85 56.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.4 t -143.56 111.13 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.99 110.15 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.9 mt -98.69 147.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.07 122.74 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -93.14 133.18 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 1.8 t -72.79 169.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.6 mt-10 -104.57 -71.41 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.9 mmp_? -116.83 -31.45 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mmm -88.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.29 169.13 11.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -73.36 -43.6 60.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -95.95 -49.24 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.418 ' NH2' HG12 ' A' ' 86' ' ' ILE . 18.1 tpt180 -47.27 -36.29 8.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -72.77 -60.57 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.21 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 3.1 t80 -38.87 -43.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.65 -48.99 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.3 m -39.48 -61.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.43 99.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.0 tp -55.26 -61.05 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -43.33 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 49.8 mtt180 -37.85 -48.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t -60.32 -37.9 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ALA . 68.1 mmtt -71.22 -41.41 70.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.59 28.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -113.98 124.42 52.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.01 117.7 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.9 t -96.89 129.66 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -93.96 142.54 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -82.83 -43.18 16.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.9 158.81 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.23 117.02 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -143.0 160.88 39.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -39.32 -44.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' ALA . 16.6 mt-10 -41.22 -46.26 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.3 114.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.8 p -121.48 -20.17 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -149.13 116.68 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -97.16 141.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.0 t -115.7 128.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.71 143.02 49.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.13 137.34 46.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 47.38 51.8 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 59' ' ' SER . 85.9 m -120.58 145.35 47.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.449 ' N ' HG21 ' A' ' 58' ' ' THR . 20.7 t -83.26 152.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.64 -41.27 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.42 -27.44 56.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.38 -50.51 71.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.14 -55.06 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' GLN . 98.4 t -45.88 -56.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -45.71 -43.0 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.534 ' CE3' ' O ' ' A' ' 66' ' ' TRP . 19.4 t90 -76.88 -20.63 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' VAL . 44.6 tt0 -78.84 -32.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.17 -40.37 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -50.6 -36.36 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.3 mmm180 -60.1 -70.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 mmt -44.26 -24.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.05 -44.05 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.87 15.51 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -102.59 154.16 37.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 155.68 65.36 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.28 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.9 -32.62 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.79 137.9 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -88.44 131.35 42.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.75 . . . . 0.0 111.1 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.04 63.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 157.57 60.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.03 113.13 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.9 mt -71.76 97.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.98 170.37 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -105.71 158.56 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.418 HG12 ' NH2' ' A' ' 27' ' ' ARG . 7.9 tp -44.11 -35.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -47.69 -39.18 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -66.25 -51.88 53.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.68 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -39.58 -47.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.64 -45.47 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 m -59.71 -50.79 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.7 -48.33 79.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.75 -22.51 70.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.13 22.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.78 -16.26 12.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.65 151.97 76.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.485 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.73 108.66 2.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.87 151.39 90.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -40.58 147.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -120.12 169.5 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.35 -11.81 60.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -100.67 -25.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -69.72 -47.61 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 14.8 mtp-105 -47.61 146.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.1 mt -121.93 85.42 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -132.86 164.65 26.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.3 p -133.62 168.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.06 127.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.88 61.88 6.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.5 6.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -111.58 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.88 155.94 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.62 72.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 173.02 11.54 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.79 99.96 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.6 p -158.87 135.53 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.99 169.23 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.17 175.71 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 27.4 ptm -119.63 141.62 31.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.422 ' HB2' ' CE1' ' A' ' 125' ' ' TYR . 54.4 Cg_endo -69.75 165.98 29.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.64 2.227 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.81 -19.91 43.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 123' ' ' PRO . 1.1 p90 -94.79 47.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -131.71 115.83 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 28.6 p -174.01 133.77 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.7 m -151.57 176.73 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 153.58 -176.7 31.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.55 10.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.268 . . . . 0.0 112.309 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.9 t -126.68 -40.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 t 50.0 42.34 24.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -50.45 172.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -132.54 42.53 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.47 103.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -123.26 158.75 30.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -52.54 150.85 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.49 95.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -115.74 157.11 24.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 t -150.84 140.21 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -62.87 -47.54 82.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -116.44 82.61 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.45 14.83 60.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG13 ' CE1' ' A' ' 52' ' ' HIS . 57.6 t -135.03 120.17 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.16 109.95 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.8 mt -99.93 131.09 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -123.81 125.97 45.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.69 135.36 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG12 ' CZ2' ' A' ' 66' ' ' TRP . 2.6 t -64.42 109.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 16.9 mt-10 -39.2 -64.13 0.54 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.594 0.711 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.72 -90.89 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' PRO . 4.1 tpm_? -35.36 148.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ttp 72.58 42.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.15 140.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -84.79 -36.94 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -88.85 -46.99 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -45.76 -34.37 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.16 -58.31 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.94 -52.21 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.14 -51.24 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.7 mt -69.24 -52.08 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 59.0 m -36.45 -60.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.64 -47.5 88.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 tp -46.82 -59.36 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -49.04 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.1 mtt-85 -36.62 -40.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -67.17 -43.37 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ALA . 62.7 mmtt -64.55 -51.2 64.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.82 34.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -116.12 144.42 44.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -87.97 115.72 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.4 122.94 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.2 mt -82.46 149.85 27.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -83.04 -46.0 13.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.94 177.65 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.39 87.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.0 t -100.47 155.28 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -58.39 -17.11 17.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 51' ' ' THR . 18.1 mm-40 -66.61 -36.86 83.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.42 92.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.663 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 27.5 p -89.69 -27.27 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.663 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 5.0 m80 -136.56 135.92 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.19 137.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -104.46 131.12 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.461 ' HE2' ' CE3' ' A' ' 66' ' ' TRP . 5.2 mtt -143.24 123.33 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -109.26 148.72 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 52.35 33.57 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.3 m -114.97 131.69 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLU . 50.3 m -70.39 140.63 52.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.17 -38.51 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.36 -33.0 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' SER . 12.5 mm-40 -59.96 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.08 -52.87 63.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.55 -26.2 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -84.48 -32.82 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.515 ' CZ2' HG12 ' A' ' 19' ' ' VAL . 27.4 t90 -75.67 -25.97 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' HG2' ' CD1' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -84.59 -23.93 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.5 mt-10 -57.97 -57.06 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' GLU . 21.6 mmt85 -37.89 -37.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.7 mtp-105 -70.09 -64.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.68 -19.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.96 -40.17 47.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.3 17.8 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 148.15 45.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.545 0.688 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.82 43.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.32 -17.36 48.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.77 136.9 57.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 84.9 m -87.91 138.28 31.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.8 136.13 32.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.56 69.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 67' ' ' GLN . 5.1 mt -71.18 127.78 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' N ' HD11 ' A' ' 107' ' ' LEU . 19.0 mt -138.99 172.89 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -108.46 159.22 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 8.2 tp -46.04 -36.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -45.55 -38.26 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.19 -60.93 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -47.04 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.2 p -46.24 -50.95 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.73 -33.68 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -75.95 -35.44 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.7 mt -70.09 -49.64 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -22.41 69.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.17 -15.37 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.15 -17.89 8.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -125.07 152.34 70.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 108.13 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.1 m -71.3 152.26 94.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.4 16.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.39 134.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 4.3 pt-20 -116.33 179.02 4.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.63 -52.63 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -56.8 -26.74 58.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.423 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 39.2 m170 -74.82 -41.22 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -58.3 126.9 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.425 HD11 ' N ' ' A' ' 84' ' ' LEU . 11.3 mt -107.49 90.54 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -141.57 157.53 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.401 ' CG2' ' H ' ' A' ' 110' ' ' ALA . 9.2 p -121.15 169.36 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.401 ' H ' ' CG2' ' A' ' 109' ' ' VAL . . . -175.12 120.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.52 67.22 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.74 5.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 3.8 mmm180 -99.77 142.51 31.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -135.35 140.15 44.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.61 74.46 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -175.01 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 pp -122.09 154.96 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 141.41 31.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.14 84.88 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -111.29 174.58 5.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.2 mtp -117.57 140.31 27.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.31 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.93 -35.39 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.4 OUTLIER -85.97 33.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -86.4 41.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.7 t -136.77 147.73 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.7 t -99.83 137.94 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.27 65.59 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 145.61 57.71 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 m -103.98 166.49 10.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.1 t -104.59 123.58 47.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -171.42 143.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -79.29 -60.34 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.74 136.36 3.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -152.11 152.23 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -160.48 175.53 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.19 -112.86 3.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' THR . 3.2 m -39.62 159.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' SER . 8.4 t -34.56 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -47.92 -40.17 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.557 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.8 m-85 -132.14 87.09 44.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -11.26 30.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.48 32.91 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -153.41 122.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -127.08 126.48 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 54' ' ' VAL . 33.1 mt -113.04 140.96 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -117.95 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.93 124.28 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 20' ' ' GLU . 95.2 t -76.14 105.66 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 5.9 mp0 -38.09 -60.07 1.07 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.72 168.58 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 41.84 40.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.7 tpp -130.98 -66.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.5 153.52 5.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -75.74 -39.7 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -94.53 -37.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' ARG . 3.0 tpm_? -52.16 -54.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' ARG . 55.1 mtm180 -36.21 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.57 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -38.79 -50.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.34 -51.32 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 m -39.5 -48.45 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.23 -41.87 12.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.8 tp -50.79 -52.41 41.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -57.05 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -44.34 -44.23 8.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -63.64 -40.45 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -68.43 -57.22 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.51 35.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.52 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -123.49 122.9 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 136.03 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.22 123.79 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.1 mt -86.79 138.12 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.86 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.85 173.42 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.5 p -67.71 117.16 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -144.71 166.29 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -46.39 -45.49 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -44.58 -35.48 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 113.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.442 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 17.7 p -109.68 -38.02 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.442 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 20.9 m80 -125.68 113.79 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -95.89 128.24 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.435 HG23 ' CG2' ' A' ' 16' ' ' ILE . 58.7 t -93.65 129.24 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.403 ' HE3' ' CD2' ' A' ' 66' ' ' TRP . 53.8 mtt -128.53 111.14 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.74 130.71 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 60.65 47.01 8.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 59' ' ' SER . 90.5 m -124.94 139.94 53.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 58' ' ' THR . 1.2 t -70.79 174.69 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.65 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.72 -37.0 50.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -50.71 -44.03 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' CB ' HD11 ' A' ' 83' ' ' LEU . . . -59.41 -51.17 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 57.2 t -53.98 -30.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 t -82.13 -49.95 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.403 ' CD2' ' HE3' ' A' ' 55' ' ' MET . 11.8 t90 -59.66 -28.26 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.6 pt20 -78.44 -34.48 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 4.4 mm-40 -64.19 -42.15 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -48.72 -44.06 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' ALA . 14.0 mtp-105 -64.42 -58.23 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -33.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.33 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.41 22.76 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -97.68 154.23 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.02 47.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.64 21.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.94 9.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.6 t -60.86 123.75 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.83 153.86 39.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.18 10.83 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.8 69.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.0 108.0 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD11 ' CB ' ' A' ' 63' ' ' ALA . 25.7 mt -67.22 116.49 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.39 170.33 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.67 151.25 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.46 ' CD1' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -48.72 -40.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.8 t -45.04 -40.18 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.461 ' NE1' HG21 ' A' ' 99' ' ' VAL . 79.6 t90 -62.98 -45.72 91.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.4 tp -54.72 -55.99 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.46 HG23 ' CD1' ' A' ' 86' ' ' ILE . 34.9 p -56.33 -33.27 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -41.56 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 m -68.88 -43.32 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.88 -51.08 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.71 -15.29 47.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.88 -14.55 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.31 -13.47 33.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -133.67 151.59 77.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.557 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.78 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 HG21 ' NE1' ' A' ' 88' ' ' TRP . 30.5 m -72.37 152.53 92.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.096 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.35 15.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.8 t -51.01 132.42 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -114.15 164.98 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 p -51.85 -37.28 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -69.38 -39.83 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.47 -49.62 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -45.92 138.14 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.2 mt -113.57 93.51 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -149.99 151.94 34.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 5.9 p -113.26 171.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.1 128.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.25 67.63 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 122.21 8.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.368 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -63.16 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -145.97 144.45 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' LYS . . . 36.8 72.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 174.1 10.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.404 ' C ' HD11 ' A' ' 117' ' ' LEU . 2.1 pp -122.68 151.97 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 m -156.79 138.34 9.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.719 0.771 . . . . 0.0 110.821 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -49.08 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.06 -179.61 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -105.15 137.5 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.7 mtp -139.76 137.03 17.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.685 . . . . 0.0 110.946 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 172.31 12.84 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.01 -49.78 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 126' ' ' ALA . 8.3 p90 -44.01 -44.3 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 125' ' ' TYR . . . -42.12 106.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.9 t -154.59 126.16 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.5 m -106.09 163.91 12.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.92 83.45 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.54 48.3 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.401 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.0 p -121.11 127.28 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.2 p -141.91 171.36 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -45.21 138.59 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -93.62 147.31 23.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.24 105.97 1.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -124.98 141.63 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -63.39 -56.61 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.03 137.42 7.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -109.02 -65.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.966 0.412 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 t -174.99 142.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 mmt180 -40.88 -49.94 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.4 m-85 -125.96 90.62 49.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.13 25.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.29 26.73 5.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -148.54 113.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -119.34 120.52 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' HG22 ' A' ' 54' ' ' VAL . 64.8 mt -109.16 128.77 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -108.63 122.59 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.85 124.92 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.4 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 16.9 t -77.22 97.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.592 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -41.81 -54.1 7.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.902 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.5 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 63.13 52.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 tpp -133.58 -46.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.38 138.68 5.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -62.22 -26.88 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.447 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 56.2 m -96.82 -57.31 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -37.78 -61.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.5 tmm_? -35.5 -64.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -39.6 -43.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.84 -49.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.6 m -39.17 -55.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.72 82.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.3 tp -54.5 -58.8 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.95 -60.99 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -44.31 -44.48 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -65.55 -39.09 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -67.91 -56.68 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 146.55 33.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -122.16 134.46 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -82.1 119.54 24.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.08 123.7 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.9 mt -88.54 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.97 -63.76 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.53 -75.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -174.63 110.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 m -110.47 24.78 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 m 60.27 27.2 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -115.18 -26.06 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.53 120.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.3 p -123.57 -26.58 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -139.64 112.64 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.6 t -93.37 138.71 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.46 HG22 ' CG2' ' A' ' 16' ' ' ILE . 50.4 t -105.75 120.1 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.8 mtt -119.69 155.79 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -131.6 134.4 45.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 47.28 53.05 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.8 m -133.84 135.22 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.3 m -68.43 169.12 11.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.62 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.15 -48.21 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -48.91 -35.84 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.72 50.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -46.06 -52.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -50.41 -57.21 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -54.17 -37.65 64.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -63.49 -50.06 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -41.35 -46.09 3.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -38.43 -60.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -47.2 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -43.16 -25.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.13 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.91 24.16 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.71 159.85 28.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 150.44 68.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.65 30.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.43 -43.83 2.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.0 m -54.18 117.88 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 12.4 m -76.14 135.6 69.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 111.132 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.4 Cg_endo -69.74 153.76 68.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 172.62 12.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.82 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' C ' HD13 ' A' ' 107' ' ' LEU . 51.5 mt -72.52 100.49 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.9 mt -111.35 175.64 5.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -105.62 153.46 21.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.8 tp -45.31 -26.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -53.06 -42.23 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.52 -53.48 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' THR . 30.7 tp -53.02 -65.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' LEU . 77.2 p -34.13 -51.38 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.07 -47.38 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 53.9 m -57.67 -52.53 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.22 -51.17 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.78 -15.41 48.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.491 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.69 -13.8 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.29 -12.27 26.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -132.67 152.4 79.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.74 108.97 2.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m -71.81 152.92 93.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.76 92.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 102' ' ' GLU . 3.1 p -35.02 146.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.437 ' N ' HG22 ' A' ' 101' ' ' VAL . 74.7 mt-10 -113.69 -176.59 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 12.9 t -67.27 -46.6 73.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -54.71 -43.26 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -54.23 -48.39 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -49.77 142.43 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 83' ' ' LEU . 5.7 mt -119.2 91.07 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 3.2 tm-20 -138.69 153.93 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.446 ' O ' ' CD ' ' A' ' 108' ' ' GLU . 7.5 p -120.74 170.96 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.11 130.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.01 66.31 2.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 -147.33 168.57 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.56 145.92 50.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.62 171.25 44.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -177.33 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.89 156.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.6 m -38.71 144.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -46.73 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.99 171.6 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . 0.521 ' CG ' ' N ' ' A' ' 122' ' ' MET . 1.2 t-105 -116.68 161.34 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.521 ' N ' ' CG ' ' A' ' 121' ' ' TRP . 4.4 ptp -174.18 143.4 0.9 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.414 ' HG2' ' CA ' ' A' ' 126' ' ' ALA . 53.9 Cg_endo -69.71 156.8 62.54 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -53.54 -38.93 64.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' ALA . 20.7 p90 -82.09 -52.49 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' TYR . . . 34.71 44.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 47.3 t -118.17 91.41 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.1 m -89.71 164.27 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.66 69.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 t -174.31 142.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.796 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.7 t -89.05 160.13 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -54.66 93.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -39.3 155.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.58 67.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -108.11 102.32 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -54.88 97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.43 78.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -147.02 147.79 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 12' ' ' PRO . 13.9 t -171.23 141.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -51.44 -49.68 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.63 84.57 53.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.448 ' N ' HG22 ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.75 -40.92 4.76 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -30.25 19.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.45 HG21 ' CE1' ' A' ' 52' ' ' HIS . 2.1 p -105.54 114.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.39 116.65 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' CG2' HG23 ' A' ' 54' ' ' VAL . 38.0 mt -97.72 137.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -119.73 129.17 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.79 131.98 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.49 ' CG1' ' CB ' ' A' ' 22' ' ' ARG . 2.0 t -68.72 142.18 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.597 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 6.5 mt-10 -84.77 -68.48 0.16 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.78 -51.93 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.498 ' NE ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -50.8 -57.77 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.2 ttm -76.59 -54.25 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.9 153.42 6.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -69.97 -51.87 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -79.5 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -39.63 -53.04 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 28' ' ' ARG . 3.1 tmt_? -52.32 -43.75 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.73 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 9.7 t80 -43.12 -53.13 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.94 -45.44 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.5 m -38.35 -61.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.03 -32.66 81.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ALA . 11.1 tp -67.26 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.05 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -50.24 -46.34 54.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.9 t -58.63 -28.65 65.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -84.73 -34.12 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.97 31.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -125.35 117.47 23.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -55.53 117.62 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -95.14 124.03 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -96.13 132.36 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.78 -46.61 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.65 172.35 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.53 116.74 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -139.1 157.97 45.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -43.67 -45.68 7.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' ALA . 6.6 mp0 -42.63 -40.92 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.62 109.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.595 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.9 p -103.2 -37.67 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 12.0 m80 -136.35 133.82 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.78 119.98 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 16' ' ' ILE . 62.1 t -93.62 121.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.1 mtt -124.32 135.44 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.5 mt-10 -106.53 156.43 18.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.8 pt-20 37.11 40.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.7 m -111.22 128.19 55.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 t -68.52 151.03 47.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.99 -36.51 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.77 -41.83 15.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -51.89 -37.21 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 -70.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 65' ' ' SER . 7.5 p -47.88 -34.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.454 ' N ' HG12 ' A' ' 64' ' ' VAL . 4.5 t -66.09 -60.31 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . 0.524 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 2.1 t90 -46.68 -22.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.418 ' NE2' ' SD ' ' A' ' 71' ' ' MET . 17.9 tp60 -79.16 -48.23 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.81 -38.61 16.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.63 -36.57 69.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -67.18 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.418 ' SD ' ' NE2' ' A' ' 67' ' ' GLN . 41.3 mmm -39.94 -27.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -71.2 -52.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.84 17.96 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -77.68 147.63 75.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.65 33.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 131.85 22.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.287 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.71 10.85 72.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.2 p -71.16 159.44 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 80' ' ' PRO . 97.9 m -120.41 135.33 24.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 111.202 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.4 ' N ' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.77 113.44 3.38 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 169.22 19.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.33 99.94 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -69.4 111.7 5.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.08 175.94 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -107.07 152.79 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.5 tp -43.49 -29.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -52.59 -42.05 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 105' ' ' HIS . 73.0 t90 -66.24 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 92' ' ' SER . 13.8 tp -75.75 -61.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 p -39.35 -34.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.31 -43.4 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' LEU . 15.4 m -65.62 -46.0 80.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.3 mt -57.97 -51.95 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.01 61.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.67 -15.05 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 -9.6 24.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -134.54 152.37 77.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.9 m -71.23 153.44 94.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -41.3 151.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 13.0 pt-20 -130.83 165.95 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.3 m -56.26 -33.2 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -69.91 -26.58 64.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.459 ' CG ' ' HB2' ' A' ' 88' ' ' TRP . 21.8 m170 -76.94 -46.28 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -45.31 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.8 mt -126.41 118.39 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -166.5 161.26 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 8.9 p -123.26 170.5 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -175.08 114.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.66 64.75 3.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.06 61.73 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -106.22 154.45 20.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.87 153.86 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 38.88 75.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.431 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 173.56 10.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp -129.93 145.91 51.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.417 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 13.5 m -112.74 101.53 53.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 54.0 Cg_endo -69.74 -44.2 2.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.718 2.279 . . . . 0.0 112.344 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.56 173.81 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -122.11 153.66 38.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 ptm -162.11 140.08 6.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 165.3 31.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.02 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.542 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 16.1 p90 -84.53 37.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -135.82 117.8 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 t -156.32 165.59 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 p -135.84 149.34 49.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -177.64 74.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 155.36 65.95 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.6 t -105.64 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.9 m -53.07 120.55 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -58.66 -41.17 85.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.7 m-85 -125.26 81.69 63.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -37.8 8.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.5 -32.55 38.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.777 HG23 ' ND1' ' A' ' 52' ' ' HIS . 2.1 p -102.98 114.57 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.37 114.44 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.534 HG23 HG23 ' A' ' 54' ' ' VAL . 35.0 mt -93.55 133.9 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 25.3 t80 -131.38 135.87 47.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.886 HD23 ' HB ' ' A' ' 54' ' ' VAL . 1.2 mt -101.86 165.78 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.713 HG12 ' HD2' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -108.31 142.67 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.4 mt-10 -70.88 -57.27 5.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.713 ' HD2' HG12 ' A' ' 19' ' ' VAL . 54.2 Cg_endo -69.73 5.37 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.392 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.485 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 10.0 tpp180 -123.86 -31.55 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.599 ' SD ' HD22 ' A' ' 18' ' ' LEU . 12.0 ttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ARG . 34.2 ttp180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.802 0.335 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.413 ' HG3' HD12 ' A' ' 18' ' ' LEU . 8.2 ttp85 -38.29 -53.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.97 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -39.81 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' SD ' ' A' ' 23' ' ' MET . 30.4 mt -67.22 -45.68 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.917 HG23 HG11 ' A' ' 42' ' ' VAL . 97.3 m -41.37 -52.06 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.33 -44.61 21.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD23 HD13 ' A' ' 93' ' ' LEU . 31.1 tp -49.52 -56.21 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.97 22.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -42.68 -42.03 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 m -65.68 -37.15 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -68.04 -53.8 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.19 34.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -122.61 142.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -92.28 115.67 28.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.917 HG11 HG23 ' A' ' 32' ' ' THR . 90.8 t -95.83 125.91 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.62 131.25 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.71 -57.45 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.21 144.01 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -49.62 115.46 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -134.18 151.79 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -44.39 -36.71 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 51' ' ' THR . 1.6 mp0 -50.99 -40.22 57.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.22 114.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 49' ' ' GLU . 36.3 p -108.09 -36.29 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.777 ' ND1' HG23 ' A' ' 14' ' ' VAL . 28.9 m80 -126.76 131.47 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 81' ' ' PRO . 25.0 t -109.31 130.21 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.886 ' HB ' HD23 ' A' ' 18' ' ' LEU . 88.0 t -98.48 117.44 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.3 mtt -122.51 135.25 54.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -106.87 131.33 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 59.84 46.86 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 62' ' ' GLU . 91.3 m -119.69 134.67 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -76.79 151.66 35.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.08 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.4 pt-20 -78.89 -49.37 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HB3' HG23 ' A' ' 58' ' ' THR . 8.6 mm-40 -39.15 -51.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -46.49 -54.06 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.1 t -48.5 -49.54 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -47.21 -44.87 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -75.13 -23.72 57.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.796 ' HB2' HD11 ' A' ' 83' ' ' LEU . 35.5 tt0 -71.27 -34.94 71.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.4 -44.21 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -49.12 -37.01 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 4.3 mmm180 -61.61 -60.43 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.2 mmt -53.98 -21.38 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -43.11 54.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.94 19.91 18.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.16 148.68 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 159.61 52.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.71 63.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.75 -29.67 3.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.45 123.65 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.617 HG23 ' HD2' ' A' ' 80' ' ' PRO . 87.5 m -78.54 138.32 58.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.78 144.47 54.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.436 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.7 Cg_endo -69.81 142.3 47.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.75 114.48 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.796 HD11 ' HB2' ' A' ' 67' ' ' GLN . 13.4 mt -75.78 120.7 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 83' ' ' LEU . 6.3 mt -126.71 177.32 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -106.54 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 HG23 ' A' ' 90' ' ' THR . 7.1 tp -61.81 -33.37 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 t -47.7 -48.94 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.83 -55.43 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' SER . 33.9 tp -51.72 -64.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.401 HG23 HG13 ' A' ' 86' ' ' ILE . 40.4 p -41.01 -52.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.75 -35.1 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . 24.9 m -69.59 -51.8 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.492 HD13 HD23 ' A' ' 34' ' ' LEU . 11.7 mt -53.71 -49.12 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.05 -21.09 67.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.05 -13.65 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.09 15.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.27 152.35 78.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.591 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.4 Cg_endo -69.71 108.27 2.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.1 m -67.65 153.01 95.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.19 7.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 102' ' ' GLU . 88.8 t -46.66 152.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.418 ' N ' HG12 ' A' ' 101' ' ' VAL . 7.6 pt-20 -141.66 159.78 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.4 -55.72 2.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -49.64 -41.33 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.21 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -48.46 129.93 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.555 HD11 ' O ' ' A' ' 84' ' ' LEU . 8.7 mt -107.18 96.46 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -145.71 162.78 36.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.611 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.8 p -135.56 169.96 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.611 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 136.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.27 65.98 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -54.26 -49.0 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.2 m-85 -121.95 82.53 43.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -30.25 22.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.0 -33.54 69.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.83 HG23 ' CE1' ' A' ' 52' ' ' HIS . 1.3 p -102.18 114.59 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.499 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -112.99 112.81 24.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 17' ' ' TYR . 73.6 mt -90.87 154.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 45' ' ' ALA . 69.8 t80 -134.12 143.47 47.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' ' HG3' ' A' ' 28' ' ' ARG . 12.7 mt -115.32 141.16 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.548 HG12 ' HD2' ' A' ' 21' ' ' PRO . 2.7 t -80.42 160.82 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 mm-40 -87.02 -68.69 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.1 Cg_endo -69.8 -52.0 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 19' ' ' VAL . 2.6 mmp_? -48.86 -61.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.0 mmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 52.5 ttt-85 -54.78 -60.17 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.48 -56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -40.49 -55.67 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 65.2 mt -63.29 -47.95 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.532 ' HA ' HG21 ' A' ' 42' ' ' VAL . 86.9 m -37.69 -65.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.31 -45.28 95.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -53.31 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -41.55 -66.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 95.8 mtt180 -37.18 -45.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 30.8 mmtm -62.6 -49.57 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.03 33.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.635 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 7.1 m-85 -130.96 128.76 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -84.62 116.05 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 32' ' ' THR . 61.6 t -89.09 130.15 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD11 ' HB1' ' A' ' 15' ' ' ALA . 18.9 mt -91.78 143.51 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.08 22.86 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -170.77 -178.58 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.45 82.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.8 m -113.45 177.24 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 p -48.53 -40.98 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -46.97 -43.59 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.56 113.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.0 p -98.6 -29.85 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.83 ' CE1' HG23 ' A' ' 14' ' ' VAL . 11.7 m80 -139.36 150.3 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 t -124.39 131.02 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG11 HD22 ' A' ' 89' ' ' LEU . 38.8 t -104.77 129.18 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.5 ' HG2' HG21 ' A' ' 19' ' ' VAL . 6.3 mtt -137.47 130.89 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.91 144.42 26.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 50.76 38.79 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.3 m -119.49 136.32 54.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.2 p -88.91 178.12 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -65.36 -47.01 77.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.7 pt-20 -66.68 -52.08 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 30.0 tt0 -46.26 -51.22 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.768 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -47.22 -60.6 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.7 t -46.82 -46.52 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -53.48 -53.91 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.454 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 27.2 t90 -65.47 -28.19 69.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.677 ' HB2' HD11 ' A' ' 83' ' ' LEU . 32.8 tt0 -68.7 -39.92 80.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -65.41 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.47 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 20.5 mtt-85 -66.8 -56.01 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 mmm -41.78 -29.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.95 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.64 8.36 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -72.89 157.53 88.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.6 Cg_endo -69.83 164.1 35.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.9 22.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -14.75 64.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -64.55 135.43 55.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.666 HG23 ' HD2' ' A' ' 80' ' ' PRO . 92.8 m -104.86 139.07 19.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 111.157 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.72 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.14 110.5 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.768 HD13 ' HB1' ' A' ' 63' ' ' ALA . 44.5 mt -69.71 116.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 107' ' ' LEU . 10.2 mt -120.22 171.17 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.452 ' HB2' HD21 ' A' ' 107' ' ' LEU . 38.8 t70 -107.5 149.72 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.816 HG13 HG23 ' A' ' 90' ' ' THR . 4.2 tp -36.24 -35.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -42.1 -48.37 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.92 -55.63 31.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' SER . 21.0 tp -55.2 -62.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.816 HG23 HG13 ' A' ' 86' ' ' ILE . 12.8 p -37.47 -55.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.75 -33.95 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.522 ' OG ' HG22 ' A' ' 99' ' ' VAL . 50.8 m -71.06 -45.43 63.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.5 -57.02 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.01 -14.48 38.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.51 -15.49 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.06 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -134.32 152.25 77.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG22 ' OG ' ' A' ' 92' ' ' SER . 19.6 m -69.63 150.9 96.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 99.19 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 105' ' ' HIS . 1.9 p -40.51 147.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -120.41 168.33 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.1 -37.07 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.427 ' CB ' HG23 ' A' ' 101' ' ' VAL . 6.7 m170 -67.91 -53.09 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -43.3 144.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.646 HD11 ' O ' ' A' ' 84' ' ' LEU . 13.9 mt -115.96 98.49 6.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 12.4 tt0 -149.07 153.89 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.599 HG22 ' N ' ' A' ' 110' ' ' ALA . 10.8 p -128.71 167.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.599 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -170.24 115.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.68 59.84 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -49.25 -43.35 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.44 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 25.0 m-85 -117.46 82.76 15.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.89 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.84 -31.61 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.033 HG23 ' CE1' ' A' ' 52' ' ' HIS . 12.3 p -93.63 107.74 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.02 110.73 18.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 54' ' ' VAL . 18.6 mt -92.45 137.68 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -116.76 126.2 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.71 126.59 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG12 ' HG2' ' A' ' 21' ' ' PRO . 18.8 t -80.06 98.43 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.0 mt-10 -34.51 -60.07 0.54 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HG2' HG12 ' A' ' 19' ' ' VAL . 54.2 Cg_endo -69.76 143.36 50.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 59.78 42.31 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -39.65 -48.61 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.25 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' HD22 ' A' ' 34' ' ' LEU . 21.2 t80 -40.62 -50.48 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.04 -43.77 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.487 HG23 HG11 ' A' ' 42' ' ' VAL . 94.1 m -40.64 -62.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.02 -41.14 72.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.712 HD23 HD13 ' A' ' 93' ' ' LEU . 28.7 tp -47.91 -57.72 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.16 -58.75 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.043 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -43.97 -42.15 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -64.76 -38.98 92.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -67.29 -54.98 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.04 34.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 24.8 m-85 -119.48 139.86 51.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -83.43 110.06 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 HG23 ' A' ' 32' ' ' THR . 92.3 t -93.97 125.62 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.5 127.01 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.12 -49.91 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.08 162.88 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.3 118.51 6.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -139.0 153.95 48.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 p -49.94 -27.81 5.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -56.92 -40.52 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.58 108.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.535 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.7 p -95.26 -47.01 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.033 ' CE1' HG23 ' A' ' 14' ' ' VAL . 6.9 m80 -124.6 143.01 50.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.6 t -115.74 138.35 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 HD22 ' A' ' 89' ' ' LEU . 60.6 t -105.89 124.91 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.659 ' SD ' HG21 ' A' ' 58' ' ' THR . 19.3 mtt -128.5 117.45 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.41 140.4 29.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 46.13 46.99 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.659 HG21 ' SD ' ' A' ' 55' ' ' MET . 86.2 m -121.1 131.69 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -69.35 158.99 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.48 90.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.8 -42.57 49.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' HG23 ' A' ' 58' ' ' THR . 40.7 tt0 -53.51 -44.85 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.91 65.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.65 -50.88 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -49.42 -63.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -43.57 -40.53 4.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.466 ' NE2' ' HD2' ' A' ' 81' ' ' PRO . 7.5 tp-100 -67.15 -51.71 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ARG . 54.1 mm-40 -38.1 -48.99 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' GLU . 8.4 mmm180 -36.42 -47.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.9 mtp180 -62.56 -59.54 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.44 -34.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.61 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.91 24.76 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -106.71 151.86 40.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.31 57.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.22 25.08 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 -29.66 12.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.8 p -55.44 126.48 25.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.8 m -98.65 130.84 27.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.707 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HD2' ' NE2' ' A' ' 67' ' ' GLN . 53.1 Cg_endo -69.77 172.31 12.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 111.85 20.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -76.04 106.39 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 101' ' ' VAL . 47.6 mt -112.11 174.23 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.431 ' HB2' HD21 ' A' ' 107' ' ' LEU . 5.0 t70 -108.07 155.42 20.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.5 tp -45.53 -22.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -58.32 -43.78 88.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.99 -54.18 38.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 54' ' ' VAL . 27.4 tp -50.75 -61.67 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -46.66 -43.96 18.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.03 -41.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -68.18 -47.65 67.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.712 HD13 HD23 ' A' ' 34' ' ' LEU . 17.0 mt -59.51 -51.14 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -14.16 46.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.02 -12.87 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.82 -12.73 21.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -132.66 152.48 80.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.82 108.85 2.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.68 152.6 95.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 93.74 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 84' ' ' LEU . 5.4 p -40.08 148.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -130.74 169.18 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 88.1 m -49.57 -49.82 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -49.58 -42.23 43.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -67.35 -43.13 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -53.41 132.8 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 85' ' ' ASP . 46.9 mt -102.75 95.89 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.77 154.09 43.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.609 HG22 ' N ' ' A' ' 110' ' ' ALA . 11.7 p -123.04 167.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.609 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -175.03 131.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 53.63 63.11 5.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -52.21 -47.09 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 7.8 m-85 -122.17 83.69 45.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.45 28.7 13.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.3 119.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 49' ' ' GLU . . . -119.47 116.39 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 52' ' ' HIS . 28.6 mt -107.64 139.81 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -120.67 124.47 45.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.08 130.41 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.76 HG21 ' HG2' ' A' ' 55' ' ' MET . 2.9 t -62.85 149.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.609 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.5 mm-40 -87.46 -68.87 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.71 -51.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.743 ' CB ' HG11 ' A' ' 19' ' ' VAL . 20.9 tpp180 -46.17 -24.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.406 ' CE ' ' H ' ' A' ' 19' ' ' VAL . 31.5 mtm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.56 -57.94 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.26 -47.27 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -44.36 -65.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.46 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -40.66 -62.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.57 -49.73 75.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.674 ' CD2' HD22 ' A' ' 93' ' ' LEU . 15.2 tp -47.5 -58.61 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.941 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -45.9 -65.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 80.9 mtt180 -37.52 -38.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -72.12 -45.87 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.606 ' HG3' HD23 ' A' ' 93' ' ' LEU . 21.7 mmtp -58.54 -42.2 87.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.26 26.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.499 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 40.9 m-85 -109.11 143.87 37.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -90.2 115.71 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.0 t -99.85 132.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.43 148.18 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -43.93 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.44 169.18 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.21 146.46 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -172.62 -178.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -82.1 -12.3 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.699 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 33.0 mt-10 -70.61 -31.86 69.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 107.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.56 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 3.0 p -113.75 -26.84 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.56 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 1.5 m80 -144.79 109.29 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -96.9 122.2 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 t -93.28 141.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.76 ' HG2' HG21 ' A' ' 19' ' ' VAL . 15.5 mtt -140.72 166.62 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 21.8 mt-10 -133.94 145.87 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 9.2 pt-20 42.87 36.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.412 HG21 ' SD ' ' A' ' 55' ' ' MET . 23.1 m -112.42 120.19 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -178.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.57 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.76 -37.52 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.16 -33.25 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.3 -50.83 50.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.454 HG21 ' HG2' ' A' ' 108' ' ' GLU . 43.6 t -61.35 -30.2 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -75.64 -33.57 60.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CH2' ' NE ' ' A' ' 70' ' ' ARG . 11.2 t90 -75.13 -25.59 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.3 -20.53 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.76 -52.39 60.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -46.45 -31.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' CH2' ' A' ' 66' ' ' TRP . 23.6 mtt-85 -77.34 -63.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mmt -47.14 -21.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.06 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.72 10.77 40.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -81.37 155.37 71.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.697 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.7 Cg_endo -69.8 154.44 67.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 136.89 34.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 -21.7 43.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.2 t -62.07 125.08 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 80' ' ' PRO . 90.2 m -78.0 138.41 61.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.595 0.712 . . . . 0.0 111.166 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.7 128.71 16.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 137.48 35.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.26 106.13 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 107' ' ' LEU . 15.3 mt -71.63 110.66 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.578 ' C ' HD11 ' A' ' 107' ' ' LEU . 39.4 mt -109.95 171.34 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -105.91 156.74 18.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tp -45.77 -25.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.8 m -58.7 -42.04 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.477 ' CG ' HD13 ' A' ' 84' ' ' LEU . 77.2 t90 -64.01 -42.1 97.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.38 -55.39 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.2 p -51.71 -27.78 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -71.92 -44.38 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m -73.79 -37.58 64.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 34' ' ' LEU . 74.9 mt -62.26 -45.82 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.9 -9.13 87.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.07 -14.29 14.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.77 -16.98 9.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -128.69 151.93 77.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.2 Cg_endo -69.8 108.34 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -70.48 151.79 95.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.73 13.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t -42.47 139.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -116.8 160.52 20.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.51 -26.2 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -82.64 -29.91 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.3 -48.52 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -42.82 135.51 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.578 HD11 ' C ' ' A' ' 84' ' ' LEU . 13.3 mt -119.26 96.79 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.454 ' HG2' HG21 ' A' ' 64' ' ' VAL . 10.1 tm-20 -152.27 154.9 36.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.596 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.9 p -117.88 169.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.596 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -174.37 109.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.24 71.41 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -51.18 -46.59 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 19.6 m-85 -119.96 83.51 30.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.62 16.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.97 30.46 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -148.67 111.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.794 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.96 111.96 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.6 mt -100.89 135.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -118.4 131.52 56.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.09 136.99 36.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 22' ' ' ARG . 11.1 t -73.95 158.34 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.612 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.1 mt-10 -87.39 -68.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.74 -51.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HB2' HG11 ' A' ' 19' ' ' VAL . 36.8 mmt-85 -52.23 -52.7 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 9.0 mtp-105 -50.31 -62.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -50.95 15.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -38.78 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.99 -45.75 90.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.6 m -37.92 -53.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.81 -41.25 56.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.04 -60.59 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.28 -58.9 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -43.72 -40.94 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -68.05 -37.01 80.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -67.04 -59.85 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.25 34.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -119.92 145.82 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -91.88 112.76 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.54 129.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD11 ' HB1' ' A' ' 15' ' ' ALA . 9.2 mt -97.1 142.84 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.05 -34.63 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.91 167.43 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.3 t -69.46 101.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.7 m -120.64 46.85 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.1 p 42.42 36.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 51' ' ' THR . 8.0 mt-10 -120.8 -35.4 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.47 104.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 49' ' ' GLU . 20.6 p -101.61 -24.1 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -138.63 118.72 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.76 132.12 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 89' ' ' LEU . 62.2 t -102.44 117.24 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.3 mtt -127.04 132.5 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -119.65 139.07 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 60.15 52.55 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.5 m -140.27 143.28 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 m -75.67 172.29 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -67.61 -43.24 80.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -48.03 28.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -43.88 -48.89 8.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.78 -51.81 36.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.19 -41.63 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -55.53 -56.8 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -56.44 -33.1 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.05 -37.58 87.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.19 -41.58 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -46.86 -42.05 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' ALA . 8.7 mmp_? -61.58 -62.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -32.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.52 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.04 27.19 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -98.68 153.08 38.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.73 26.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.389 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.64 19.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.38 20.57 74.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.38 157.0 38.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 80' ' ' PRO . 84.8 m -111.89 132.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.76 121.72 8.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.17 13.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 84' ' ' LEU . . . -92.44 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' LEU . 69.4 mt -70.67 97.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 101' ' ' VAL . 5.5 mt -109.82 170.73 7.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.81 159.64 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.702 HG13 HG23 ' A' ' 90' ' ' THR . 2.7 tp -45.82 -34.4 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -46.29 -37.31 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -70.11 -40.82 74.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 54' ' ' VAL . 41.1 tp -69.17 -57.48 5.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.702 HG23 HG13 ' A' ' 86' ' ' ILE . 32.2 p -47.93 -28.45 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -83.64 -35.19 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -71.32 -35.88 71.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.415 HD11 ' HG ' ' A' ' 89' ' ' LEU . 14.4 mt -67.64 -54.74 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.45 -12.48 39.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.12 -19.89 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.44 -13.75 32.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -131.73 152.12 79.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.534 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.58 150.29 95.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.578 0.704 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 91.95 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.283 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 84' ' ' LEU . 7.5 p -35.09 142.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -116.97 171.34 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.0 p -61.04 -20.42 62.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -79.13 -41.59 28.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -64.41 -43.07 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -52.06 159.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' LEU . 10.1 mt -120.33 127.63 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.526 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 18.5 tt0 -174.19 153.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.567 HG22 ' N ' ' A' ' 110' ' ' ALA . 12.1 p -120.05 162.75 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.567 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -169.87 128.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 112' ' ' PRO . . . 61.67 54.45 35.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -49.49 -45.98 47.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 3.4 m-85 -130.59 86.59 52.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.48 32.49 6.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -149.56 112.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.97 134.19 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.652 ' CG2' HG23 ' A' ' 54' ' ' VAL . 49.5 mt -117.65 152.38 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE2' ' O ' ' A' ' 18' ' ' LEU . 87.7 t80 -131.16 161.14 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.529 HD23 ' HB ' ' A' ' 54' ' ' VAL . 13.4 mt -133.29 148.56 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 99.6 t -97.39 132.75 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 9.7 mt-10 -68.39 -55.9 11.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -120.06 -64.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.6 mmm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ARG . 21.9 tpp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -34.5 -56.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.81 96.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.3 t80 -47.05 -47.04 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.21 -46.39 17.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -43.62 -57.65 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.68 93.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 93' ' ' LEU . 26.1 tp -62.16 -59.4 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 93' ' ' LEU . . . -53.07 -45.5 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -50.6 -49.78 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.2 t -58.89 -30.58 67.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 26.8 mmtm -72.26 -56.74 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.28 35.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -124.4 128.76 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -82.85 108.8 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -96.55 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.46 132.96 38.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.8 -37.03 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.12 167.87 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 p -72.45 141.39 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -164.49 -177.96 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -76.29 -27.19 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.82 -34.39 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.3 p -96.33 -28.33 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -134.81 155.19 51.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.415 HG22 ' HB3' ' A' ' 17' ' ' TYR . 98.8 t -132.32 134.94 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.652 HG23 ' CG2' ' A' ' 16' ' ' ILE . 48.3 t -102.45 127.74 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 mtt -135.56 146.01 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CD ' HG21 ' A' ' 86' ' ' ILE . 7.4 mm-40 -116.24 158.17 23.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 42.73 27.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.5 HG23 ' HB3' ' A' ' 62' ' ' GLU . 14.6 m -110.7 116.47 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -70.81 165.35 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -53.36 -50.48 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.11 -30.9 71.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 58' ' ' THR . 14.2 mt-10 -64.22 -53.06 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -46.17 -54.34 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.3 t -46.67 -38.27 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -60.49 -56.31 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -60.21 -16.0 29.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.75 ' HB2' HD11 ' A' ' 83' ' ' LEU . 3.9 tp-100 -84.93 -46.34 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.6 -43.91 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -54.42 -39.24 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.96 -62.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mmt -48.12 -20.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.87 21.55 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.24 151.36 37.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 155.06 66.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.48 32.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.51 -8.63 78.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.7 t -84.18 141.94 30.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.402 HG23 ' HD2' ' A' ' 80' ' ' PRO . 78.8 m -101.75 132.49 21.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.1 Cg_endo -69.78 144.98 55.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.06 11.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.85 118.2 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 67' ' ' GLN . 51.5 mt -76.98 105.39 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 107' ' ' LEU . 11.9 mt -115.4 173.62 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -106.09 157.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.48 HG21 ' CD ' ' A' ' 56' ' ' GLU . 5.0 tp -50.28 -30.72 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.7 t -52.73 -27.45 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -75.59 -52.34 10.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.34 -57.46 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.5 p -47.38 -45.83 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.53 -32.56 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 m -78.08 -30.59 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 61.5 mt -71.94 -51.93 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.88 -14.05 60.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.52 -17.39 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.72 -10.99 28.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -132.52 151.82 78.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.76 108.3 2.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.0 151.2 88.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 116.03 4.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' PRO . 50.9 t -35.88 152.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' N ' HG12 ' A' ' 101' ' ' VAL . 48.1 mm-40 -125.43 175.95 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 t -66.83 -32.8 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -75.24 -24.6 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -74.99 -53.78 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 mtp-105 -41.39 120.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 84' ' ' LEU . 45.1 mt -97.82 69.62 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.493 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 26.2 tt0 -127.77 151.03 49.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.581 HG22 ' N ' ' A' ' 110' ' ' ALA . 8.7 p -122.01 168.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.581 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -175.1 127.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.93 63.85 4.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.358 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -52.05 -46.21 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.479 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 26.4 m-85 -118.49 82.49 19.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.96 24.93 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.7 27.66 19.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.4 t -142.11 114.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -115.74 128.07 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 52' ' ' HIS . 24.5 mt -117.91 137.53 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -121.25 128.4 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.422 ' CB ' ' HG3' ' A' ' 28' ' ' ARG . 30.0 mt -93.09 140.08 29.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 22' ' ' ARG . 65.1 t -85.43 98.53 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 23.5 mt-10 -34.19 -58.8 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' HB2' HG11 ' A' ' 19' ' ' VAL . 66.9 mmt-85 -28.61 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.571 ' HE2' ' O ' ' A' ' 54' ' ' VAL . 11.6 tpp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HG3' ' CB ' ' A' ' 18' ' ' LEU . 28.7 ttp180 -57.3 -56.43 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.17 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -40.35 -50.22 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.7 mt -71.29 -49.16 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 93.3 m -34.04 -59.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.46 -44.18 84.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.578 HD23 HD13 ' A' ' 93' ' ' LEU . 18.6 tp -52.5 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -55.06 12.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -46.5 -46.92 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -60.18 -35.69 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -69.67 -58.71 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.6 34.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.51 134.8 55.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.75 115.43 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG11 HG23 ' A' ' 32' ' ' THR . 70.4 t -93.93 120.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.492 HD11 ' HB1' ' A' ' 15' ' ' ALA . 58.6 mt -76.08 134.93 39.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.29 -48.82 63.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.63 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.44 141.97 58.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 p -172.27 168.07 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -55.67 -33.29 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' THR . 4.0 mm-40 -45.25 -48.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.11 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 49' ' ' GLU . 63.2 p -105.15 -33.92 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' O ' HG23 ' A' ' 16' ' ' ILE . 62.0 m80 -132.35 101.39 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.1 t -85.44 138.42 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.571 ' O ' ' HE2' ' A' ' 23' ' ' MET . 89.5 t -109.57 141.49 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.497 ' CE ' ' CE3' ' A' ' 66' ' ' TRP . 51.8 mtt -139.4 140.25 37.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -117.08 131.31 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.01 42.67 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.4 m -115.61 140.22 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -77.06 154.78 33.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.52 73.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.55 -41.18 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.65 -55.23 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.559 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -45.21 -51.34 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 42.2 t -60.67 -28.39 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -83.3 -30.84 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.497 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 54.8 t90 -78.12 -19.5 53.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.4 pt20 -87.52 -32.65 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.9 mm-40 -55.74 -50.9 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' GLU . 83.3 mmt-85 -34.5 -43.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' ALA . 23.7 mtp180 -71.77 -61.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.7 mmm -45.93 -29.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.05 -55.46 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.72 32.2 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -79.67 157.37 74.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.689 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.8 Cg_endo -69.78 162.36 42.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.5 9.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.08 58.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -56.34 158.23 4.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 80' ' ' PRO . 98.0 m -123.13 136.02 26.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.81 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.68 176.53 6.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.81 109.28 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.559 HD13 ' HB1' ' A' ' 63' ' ' ALA . 22.5 mt -70.61 106.96 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' ' 88' ' ' TRP . 27.9 mt -113.12 166.32 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -106.22 156.76 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 87' ' ' SER . 8.5 tp -42.66 -42.72 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 86' ' ' ILE . 14.5 m -44.63 -41.05 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.5 ' CD1' HD13 ' A' ' 84' ' ' LEU . 62.8 t90 -61.47 -52.02 66.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' SER . 47.2 tp -55.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 93' ' ' LEU . 29.2 p -37.97 -50.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -59.0 -39.81 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 16.5 m -67.17 -38.41 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.578 HD13 HD23 ' A' ' 34' ' ' LEU . 16.6 mt -66.62 -51.82 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.39 -10.51 48.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.501 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.37 -16.9 14.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.98 -14.63 19.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 27.6 pt20 -129.95 151.21 77.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.479 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.8 Cg_endo -69.75 108.35 2.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.2 m -71.04 148.55 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 84.2 t -34.94 135.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -103.25 171.83 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 p -63.77 -34.39 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -77.05 -38.12 53.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ARG . 46.3 m170 -54.53 -56.39 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' HIS . 75.3 mtt180 -35.86 126.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -109.24 94.1 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 6.8 tt0 -150.5 153.37 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 110' ' ' ALA . 6.7 p -116.47 171.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.635 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 136.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 47.81 66.26 2.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -46.07 -37.06 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.5 m-85 -124.73 84.91 57.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.694 0.759 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 53.7 Cg_endo -69.74 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.93 14.26 31.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.07 134.3 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.86 110.3 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 40' ' ' PHE . 19.9 mt -99.56 142.19 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -120.99 129.19 53.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.82 125.54 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 20' ' ' GLU . 14.6 t -59.19 168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.634 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 12.9 mt-10 -96.33 -70.61 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 -53.25 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HB2' HG11 ' A' ' 19' ' ' VAL . 33.4 mmt-85 -38.53 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.483 ' HE1' ' H ' ' A' ' 19' ' ' VAL . 2.9 mpp? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH2' ' HG2' ' A' ' 20' ' ' GLU . 15.1 ttm180 -69.55 -60.81 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.0 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -41.2 -57.37 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.25 -51.55 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.759 HG23 HG11 ' A' ' 42' ' ' VAL . 92.4 m -37.68 -49.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.6 -48.55 10.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.717 HD23 HD13 ' A' ' 93' ' ' LEU . 16.4 tp -49.1 -55.79 11.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.24 -62.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.598 ' HG3' HG23 ' A' ' 42' ' ' VAL . 10.8 mtp85 -45.02 -36.56 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -69.76 -37.6 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HG3' HD23 ' A' ' 93' ' ' LEU . 35.5 mmtt -71.28 -57.55 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.33 33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.613 ' HB3' HD12 ' A' ' 16' ' ' ILE . 3.5 m-85 -129.52 118.18 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 12' ' ' PRO . 6.1 ptp180 -66.82 139.55 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.759 HG11 HG23 ' A' ' 32' ' ' THR . 48.5 t -110.89 119.14 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD13 ' OG ' ' A' ' 47' ' ' SER . 63.2 mt -77.8 137.71 38.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.68 -50.21 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.11 170.76 10.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 m -59.56 114.62 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.479 ' OG ' HD13 ' A' ' 43' ' ' LEU . 80.9 p -134.53 151.21 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 p -50.86 -32.13 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.715 ' O ' HG23 ' A' ' 51' ' ' THR . 3.8 mm-40 -50.29 -42.73 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.03 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 49' ' ' GLU . 41.4 p -103.73 -33.07 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -137.01 129.81 30.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.76 152.21 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.99 139.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.1 mtt -144.91 118.28 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HG3' HG21 ' A' ' 86' ' ' ILE . 25.3 tt0 -96.74 143.33 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 52.37 46.53 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.7 m -129.52 150.55 50.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.9 t -88.8 157.98 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.67 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.2 pt-20 -69.01 -41.2 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.4 tp10 -53.37 -50.04 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.43 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.1 t -48.66 -38.13 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -47.76 76.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.494 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t90 -63.75 -22.4 66.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 81' ' ' PRO . 3.9 tp-100 -82.37 -54.17 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -41.03 -44.95 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -46.6 -40.79 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 12.6 mtp-105 -72.85 -52.25 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.32 -35.14 36.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.19 8.05 23.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -86.29 145.55 40.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 162.63 41.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.396 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.63 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.57 -36.69 3.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.46 125.88 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 80' ' ' PRO . 61.7 m -84.49 137.26 39.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.6 Cg_endo -69.8 132.61 23.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HG2' ' NE2' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 156.29 63.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.48 124.98 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.3 mt -87.52 98.16 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.503 ' O ' HD11 ' A' ' 107' ' ' LEU . 46.1 mt -100.5 171.17 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.54 ' HB3' HD21 ' A' ' 107' ' ' LEU . 7.1 p30 -106.35 162.37 13.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.714 HG21 ' HG3' ' A' ' 56' ' ' GLU . 8.0 tp -51.9 -27.03 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -59.29 -33.91 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.435 ' CG ' HD13 ' A' ' 84' ' ' LEU . 83.8 t90 -69.02 -54.16 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.05 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -39.11 -58.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -50.55 -45.48 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' GLY . 33.3 m -59.8 -56.06 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.717 HD13 HD23 ' A' ' 34' ' ' LEU . 12.9 mt -51.42 -44.81 62.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -16.69 74.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 -13.5 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . . . 77.79 -12.9 14.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -130.7 151.59 79.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.79 108.25 2.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.8 m -71.01 151.24 94.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.7 Cg_endo -69.78 114.84 3.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' PRO . 79.8 t -34.48 143.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.13 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.21 -37.89 88.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -73.14 -37.3 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -57.92 -57.19 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -42.31 117.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 85' ' ' ASP . 9.6 mt -98.43 98.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -151.52 156.45 40.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.593 HG22 ' N ' ' A' ' 110' ' ' ALA . 10.0 p -126.61 167.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.593 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -173.07 109.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.84 67.02 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.75 0.31 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -48.66 -46.09 39.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.603 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 37.8 m-85 -118.97 84.34 25.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.9 26.47 19.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -142.9 124.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -122.79 116.21 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.6 mt -107.56 137.29 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CD2' ' NH2' ' A' ' 70' ' ' ARG . 45.5 t80 -115.65 126.91 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.7 mt -100.84 127.57 47.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 22' ' ' ARG . 4.6 t -75.22 157.87 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mm-40 -87.97 -69.1 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.73 -51.75 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' HB2' HG11 ' A' ' 19' ' ' VAL . 36.6 mmt-85 -51.7 -56.05 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ARG . 4.2 tmt_? -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.37 66.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -41.41 -60.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 89' ' ' LEU . 65.9 mt -65.28 -46.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 98.8 m -35.33 -55.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.48 -41.88 57.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.616 HD23 HD13 ' A' ' 93' ' ' LEU . 35.0 tp -52.66 -54.04 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.9 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -38.44 -39.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -66.64 -44.76 81.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' ALA . 36.0 mmtt -65.89 -50.59 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 35.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.724 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 21.3 m-85 -126.79 127.05 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -79.44 113.6 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.4 133.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 15' ' ' ALA . 33.6 mt -86.44 142.41 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.48 -57.33 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.05 160.1 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -48.16 115.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -142.77 153.7 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -45.87 -43.55 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.613 ' O ' HG23 ' A' ' 51' ' ' THR . 29.2 mm-40 -39.24 -44.62 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.92 118.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 49' ' ' GLU . 17.2 p -121.8 -27.84 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB3' HD12 ' A' ' 84' ' ' LEU . 22.3 m80 -137.67 116.0 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.57 125.44 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 89' ' ' LEU . 98.0 t -100.19 123.29 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.8 mtt -127.29 129.89 48.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -99.69 143.3 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 46.0 50.34 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -125.16 146.21 49.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 m -86.83 152.4 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.47 -46.79 48.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.9 -44.52 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.88 -50.48 60.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.9 -60.12 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.7 t -47.89 -44.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -53.25 -57.89 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -52.11 -38.24 56.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -61.17 -41.8 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -45.29 -48.88 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.2 mmt180 -43.91 -55.14 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' NH2' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mtt180 -54.44 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 mmt -44.47 -23.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -77.55 -39.39 46.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.56 19.8 18.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.91 152.71 38.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.45 56.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 150.49 68.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.31 -40.89 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -50.42 125.43 12.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' HD2' ' A' ' 80' ' ' PRO . 91.1 m -88.99 132.79 36.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 0.0 111.077 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.2 Cg_endo -69.73 146.28 59.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.47 56.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.42 115.64 17.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.1 98.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' A' ' 52' ' ' HIS . 48.5 mt -99.02 172.71 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.422 ' HB3' HD21 ' A' ' 107' ' ' LEU . 50.0 p30 -105.58 150.36 25.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.68 HD13 HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -45.48 -44.58 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.505 ' N ' HG23 ' A' ' 86' ' ' ILE . 32.8 t -42.93 -46.52 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.497 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 62.9 t90 -56.99 -36.71 70.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 31' ' ' LEU . 20.4 tp -65.34 -55.22 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.68 HG23 HD13 ' A' ' 86' ' ' ILE . 43.0 p -56.95 -15.65 5.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.16 -35.75 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.6 m -75.46 -42.52 52.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 HD23 ' A' ' 34' ' ' LEU . 9.7 mt -60.28 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.72 -15.98 67.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.72 -11.95 31.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -136.74 152.07 73.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.603 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.79 108.31 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 m -67.55 151.95 96.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.1 t -41.43 134.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -102.11 177.18 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.51 -19.75 60.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -92.68 -25.99 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 36.7 m170 -69.13 -37.85 78.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -57.0 106.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 85' ' ' ASP . 37.7 mt -89.49 109.97 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -164.74 155.19 14.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.62 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.3 p -126.02 170.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.62 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 109.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.87 63.83 2.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 8.5 mmt180 -45.71 -47.49 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 53.5 m-85 -134.77 89.09 26.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 2.97 3.02 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.61 0.45 32.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -125.79 121.18 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.77 120.27 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 143.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 11.8 t80 -121.79 136.34 54.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 mt -105.92 123.84 48.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 47.7 t -77.77 117.72 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 3.4 mm-40 -44.32 -60.27 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.77 166.43 27.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? 40.97 48.92 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -52.0 -57.29 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.36 -50.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -40.2 -48.17 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.403 HD22 HD23 ' A' ' 89' ' ' LEU . 23.0 mt -71.22 -47.45 57.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.566 HG23 HG11 ' A' ' 42' ' ' VAL . 90.1 m -44.32 -53.53 6.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.32 -44.71 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD23 HD13 ' A' ' 93' ' ' LEU . 14.3 tp -50.84 -60.81 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -43.6 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.48 -49.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -59.15 -41.21 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.64 ' HG3' HD23 ' A' ' 93' ' ' LEU . 35.1 mmtm -64.88 -49.79 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 143.24 33.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.416 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 20.5 m-85 -123.78 135.77 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -81.95 109.45 16.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG11 HG23 ' A' ' 32' ' ' THR . 73.4 t -92.56 130.19 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.17 146.05 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.3 -46.68 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . . . -133.23 -71.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -165.54 150.9 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 49' ' ' GLU . 2.0 m -174.06 153.8 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -44.05 -22.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 51' ' ' THR . 24.7 mm-40 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 49' ' ' GLU . 70.3 p -93.02 -20.97 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 14.8 m80 -152.76 135.46 15.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 81' ' ' PRO . 89.2 t -112.91 126.06 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 89' ' ' LEU . 76.2 t -96.84 129.75 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.6 mtt -128.41 122.16 30.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' GLU . 17.1 mt-10 -91.53 155.37 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' GLU . 18.8 mm-40 35.92 37.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.4 m -112.65 140.06 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -75.75 179.53 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -76.17 -43.05 44.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.13 -42.45 80.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -49.81 -57.58 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.29 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 6.2 p -45.47 -39.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -69.48 -21.1 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.931 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.1 tt0 -68.95 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.77 -36.38 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -53.53 -34.94 60.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -60.43 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.5 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 5.8 mmt -49.47 -30.92 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.79 10.99 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 71' ' ' MET . . . -94.6 146.02 30.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 166.05 28.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.25 69.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.39 -41.48 2.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.26 126.35 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.682 HG23 ' HD2' ' A' ' 80' ' ' PRO . 92.0 m -84.24 139.11 39.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 111.163 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.5 Cg_endo -69.83 145.53 57.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.5 Cg_endo -69.71 160.31 50.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . . . -91.63 106.32 18.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.931 HD11 ' HB2' ' A' ' 67' ' ' GLN . 51.0 mt -67.27 115.39 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.684 HD22 HG21 ' A' ' 101' ' ' VAL . 15.8 mt -123.73 173.58 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -105.65 154.43 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.39 -47.85 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 86' ' ' ILE . 5.9 t -40.28 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -58.22 -42.05 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 54' ' ' VAL . 15.0 tp -59.45 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.806 ' HA ' HD12 ' A' ' 93' ' ' LEU . 68.1 p -47.74 -38.53 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.64 -40.05 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.1 m -71.22 -40.41 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 90' ' ' THR . 6.7 mt -61.71 -54.73 38.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.62 -16.18 49.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.11 -15.87 18.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.95 -9.6 30.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -135.36 151.81 75.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.85 108.35 2.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.59 151.92 96.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.684 HG21 HD22 ' A' ' 84' ' ' LEU . 1.9 p -38.55 143.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.87 176.37 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -61.88 -35.97 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -67.78 -19.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -83.52 -50.94 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -42.8 159.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -129.45 102.95 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.442 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 45.9 tt0 -151.31 161.13 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 110' ' ' ALA . 3.9 p -128.98 170.86 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.617 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 134.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.63 73.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -44.77 -53.17 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.6 m-85 -122.03 89.85 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -45.28 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.15 -37.0 45.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 52' ' ' HIS . 85.5 t -82.47 105.66 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -112.67 122.69 48.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.6 mt -108.2 135.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -114.55 123.02 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.51 119.94 28.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 79.2 t -70.58 107.27 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 21.7 mt-10 -39.46 -60.11 1.38 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.0 Cg_endo -69.74 147.46 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 55.99 51.09 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 tpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.779 0.324 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -41.95 -55.43 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.62 -51.9 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 14.6 t80 -39.27 -41.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.32 -49.42 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -39.51 -55.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.31 -45.14 56.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.689 HD23 HD13 ' A' ' 93' ' ' LEU . 12.6 tp -53.4 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.5 -62.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HG3' HG23 ' A' ' 42' ' ' VAL . 20.3 mtp180 -41.17 -45.15 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -63.42 -42.46 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HG3' HD23 ' A' ' 93' ' ' LEU . 49.9 mmtt -62.64 -48.21 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.08 31.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 10.1 m-85 -121.59 123.71 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -72.35 117.41 13.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' HG3' ' A' ' 36' ' ' ARG . 95.3 t -89.12 122.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 HD11 ' HB1' ' A' ' 15' ' ' ALA . 27.5 mt -86.5 135.1 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.54 -62.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.77 -74.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -171.36 119.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 m -125.38 37.14 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 t 48.77 29.48 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.637 ' O ' HG23 ' A' ' 51' ' ' THR . 11.6 mt-10 -114.9 -29.94 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.63 120.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' GLU . 19.3 p -126.47 -29.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' HG13 ' A' ' 14' ' ' VAL . 4.5 m80 -132.41 112.15 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -93.95 133.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.562 HG13 ' HA ' ' A' ' 86' ' ' ILE . 46.8 t -104.11 131.86 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.846 ' SD ' HG21 ' A' ' 58' ' ' THR . 22.3 mtt -134.36 144.07 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLU . 18.6 mt-10 -109.83 144.12 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . 7.1 pt-20 34.32 39.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.846 HG21 ' SD ' ' A' ' 55' ' ' MET . 52.7 m -104.16 137.5 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -69.87 170.53 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -69.32 -38.73 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.0 -41.19 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.58 -33.71 23.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.78 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 10.1 p -49.18 -29.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 t -82.04 -37.12 26.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.37 -25.1 64.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -79.32 -28.73 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 5.5 mm-40 -53.43 -42.44 67.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -49.88 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.8 mtp180 -58.78 -62.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.7 mmt -41.01 -32.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.6 -52.67 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.79 30.23 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -99.83 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.548 0.689 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.44 63.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 125.84 12.58 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.34 -35.93 4.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.69 133.59 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 80' ' ' PRO . 52.8 m -91.84 137.77 25.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.83 115.08 3.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 142.43 47.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.31 110.21 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 115.26 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.621 ' O ' HD11 ' A' ' 107' ' ' LEU . 27.9 mt -115.55 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -105.78 150.19 25.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.562 ' HA ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -44.04 -42.86 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 86' ' ' ILE . 11.0 t -41.05 -44.22 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.417 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 76.2 t90 -55.77 -54.27 46.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.0 tp -47.31 -64.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.497 HG23 HD13 ' A' ' 86' ' ' ILE . 78.4 p -44.82 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -63.22 -40.72 98.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 m -65.63 -52.41 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.689 HD13 HD23 ' A' ' 34' ' ' LEU . 12.8 mt -54.52 -53.28 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.23 -16.21 33.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.92 -13.08 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.81 17.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.58 152.46 77.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.82 108.89 2.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 m -73.08 152.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.64 19.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 84' ' ' LEU . 60.3 t -56.05 146.52 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 105' ' ' HIS . 11.7 pt-20 -127.46 173.91 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.58 -51.32 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -56.44 -40.61 75.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 102' ' ' GLU . 32.9 m170 -58.31 -51.5 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -48.03 151.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.621 HD11 ' O ' ' A' ' 84' ' ' LEU . 4.9 mt -133.75 111.74 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.465 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 6.3 tt0 -160.31 164.5 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.574 HG22 ' H ' ' A' ' 110' ' ' ALA . 6.0 p -134.88 168.52 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.574 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 137.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.92 64.95 3.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -73.35 -42.21 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.588 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.7 m-85 -117.39 83.04 15.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.79 28.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.91 29.98 5.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.72 HG13 ' CE1' ' A' ' 52' ' ' HIS . 97.2 t -149.87 117.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.33 117.29 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -102.8 139.7 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -119.56 145.28 46.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.71 HD23 ' HB ' ' A' ' 54' ' ' VAL . 6.0 mt -123.55 128.98 50.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.967 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 23' ' ' MET . 47.5 t -56.02 151.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.59 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.8 mp0 -84.81 -67.54 0.18 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.8 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.691 ' NH1' HG21 ' A' ' 58' ' ' THR . 4.1 ttm180 -25.72 -67.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.468 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 27.9 tpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -50.39 -52.99 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.97 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -41.16 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD22 HD23 ' A' ' 89' ' ' LEU . 21.7 mt -64.23 -48.8 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.505 ' CG2' ' NH2' ' A' ' 36' ' ' ARG . 79.3 m -36.8 -61.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.41 98.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD23 HD13 ' A' ' 93' ' ' LEU . 19.8 tp -54.3 -55.26 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.01 -52.66 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.505 ' NH2' ' CG2' ' A' ' 32' ' ' THR . 77.6 mtt180 -45.36 -40.25 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -67.56 -42.14 83.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HG3' HD23 ' A' ' 93' ' ' LEU . 68.3 mmtt -64.3 -44.41 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.57 30.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 62.2 m-85 -109.42 128.16 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -78.92 109.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 t -95.86 135.6 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -94.81 144.83 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.53 -47.61 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.48 168.71 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -77.11 115.69 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -142.25 163.84 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.0 p -49.88 -42.02 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.0 -39.39 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.18 105.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -94.22 -29.86 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.72 ' CE1' HG13 ' A' ' 14' ' ' VAL . 1.9 m80 -134.54 156.55 48.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 126.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.71 ' HB ' HD23 ' A' ' 18' ' ' LEU . 35.1 t -95.81 134.94 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.3 mtt -142.37 142.03 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.43 156.41 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 39.69 47.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.691 HG21 ' NH1' ' A' ' 22' ' ' ARG . 86.1 m -126.54 135.31 51.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.5 p -76.01 163.42 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -63.26 -37.0 85.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.12 -42.42 60.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.37 -60.77 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.712 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -41.85 -58.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 46.2 t -50.37 -29.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -76.15 -35.92 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -72.89 -27.2 61.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.48 ' HB3' HD11 ' A' ' 83' ' ' LEU . 4.5 pt20 -84.99 -24.3 28.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.13 -53.12 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -39.88 -42.31 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.5 mtp85 -67.82 -60.41 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.9 mmm -44.25 -33.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -55.16 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.49 27.19 9.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -75.03 154.33 86.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 162.69 41.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 126.47 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.02 11.97 66.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.1 t -73.9 157.44 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 80' ' ' PRO . 95.9 m -117.36 139.06 25.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.8 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 155.08 66.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.62 109.12 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.712 HD13 ' HB1' ' A' ' 63' ' ' ALA . 14.7 mt -74.85 99.09 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 88' ' ' TRP . 39.1 mt -97.22 167.04 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -105.98 157.1 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 tp -44.42 -33.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -51.88 -41.5 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.412 ' CD2' HD13 ' A' ' 84' ' ' LEU . 69.7 t90 -64.39 -50.95 65.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.477 HD23 HD22 ' A' ' 31' ' ' LEU . 20.4 tp -52.54 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 p -46.33 -44.7 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.87 -31.84 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -77.29 -47.35 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.536 HD23 ' HG3' ' A' ' 38' ' ' LYS . 19.1 mt -59.47 -47.02 87.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.24 -14.57 68.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.2 -14.52 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.6 -10.4 17.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 21.4 pt20 -132.65 152.25 79.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.588 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.81 108.6 2.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.3 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.16 152.66 92.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.16 9.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -47.12 146.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 5.0 pt-20 -131.16 178.05 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 m -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -47.08 -41.94 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.478 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 56.0 m170 -60.45 -49.83 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -50.07 120.37 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.37 75.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.606 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 16.2 tt0 -130.91 158.81 39.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.61 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.3 p -120.83 170.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.61 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.14 124.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.32 67.04 2.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -57.85 -39.89 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 9.4 m-85 -131.71 81.37 63.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.83 27.29 19.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.3 t -148.1 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.99 113.91 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' A' ' 40' ' ' PHE . 4.0 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -127.07 124.72 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.01 121.66 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 20' ' ' GLU . 89.9 t -71.01 94.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.2 mt-10 -33.49 -60.17 0.44 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.75 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 74.65 36.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -56.75 -54.48 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.7 t80 -40.86 -40.97 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -89.7 -45.99 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.441 HG23 HG11 ' A' ' 42' ' ' VAL . 98.2 m -38.1 -66.26 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.66 81.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.0 -60.8 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.27 -47.39 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -45.31 -52.01 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -59.31 -32.21 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.616 ' HG3' HD23 ' A' ' 93' ' ' LEU . 55.1 mmtt -72.99 -49.15 30.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.62 32.83 0.15 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.658 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 35.3 m-85 -119.47 116.29 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -71.27 110.77 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.441 HG11 HG23 ' A' ' 32' ' ' THR . 39.4 t -90.92 127.27 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -81.43 129.35 34.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.65 -48.77 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.49 174.66 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.38 108.05 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -128.38 168.43 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -60.62 -36.06 77.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.74 ' O ' HG23 ' A' ' 51' ' ' THR . 39.4 mt-10 -44.41 -37.1 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.77 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 49' ' ' GLU . 38.5 p -108.13 -29.43 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -136.53 113.66 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.44 HG11 ' CZ3' ' A' ' 66' ' ' TRP . 12.2 t -94.06 130.38 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.36 128.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.423 ' SD ' HG21 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -123.96 148.08 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.88 145.46 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 42.44 41.29 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 59' ' ' SER . 25.1 m -115.26 158.16 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 58' ' ' THR . 17.6 m -92.13 165.67 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.3 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.69 -44.87 63.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -49.33 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.31 -55.37 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 60.6 t -48.68 -39.26 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -58.53 -57.16 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.48 ' CZ2' ' HD2' ' A' ' 70' ' ' ARG . 52.9 t90 -53.25 -31.25 42.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 83' ' ' LEU . 6.9 tp-100 -71.5 -39.21 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.48 -40.5 96.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.88 -29.64 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 4.6 mtp-105 -82.38 -61.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmt -40.13 -31.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.21 -45.43 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -101.44 21.86 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.62 146.81 33.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 160.72 48.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.28 37.41 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.63 -28.93 9.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.84 155.32 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -116.98 130.46 24.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 113.64 3.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.56 126.31 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 67' ' ' GLN . 56.9 mt -78.8 101.36 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -118.26 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 42.2 p30 -106.16 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.02 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -52.9 -29.18 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -72.53 -48.37 40.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.09 -56.12 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.473 ' HA ' HD12 ' A' ' 93' ' ' LEU . 5.2 p -43.39 -34.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.18 -45.92 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 m -60.84 -29.49 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD23 ' HG3' ' A' ' 38' ' ' LYS . 19.1 mt -73.59 -50.96 18.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.35 -10.35 59.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.75 -16.7 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.17 47.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -136.72 151.5 72.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.426 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.6 Cg_endo -69.7 108.33 2.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.381 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.58 151.66 91.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 130.59 19.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 102' ' ' GLU . 78.1 t -37.94 154.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 105' ' ' HIS . 72.0 mt-10 -135.77 158.91 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 67.0 m -50.79 -31.46 16.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -75.73 -43.32 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 102' ' ' GLU . 13.8 m170 -60.36 -49.12 78.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -43.78 123.77 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.89 67.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -123.94 165.24 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.621 HG22 ' H ' ' A' ' 110' ' ' ALA . 7.5 p -134.37 170.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.621 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.08 113.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.94 64.82 2.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.915 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.57 -43.32 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 11.5 m-85 -127.45 87.05 57.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.84 5.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.13 51.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.59 HG13 ' CE1' ' A' ' 52' ' ' HIS . 98.1 t -95.73 110.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.76 113.03 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 40' ' ' PHE . 19.5 mt -100.69 135.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 4.0 t80 -127.86 129.57 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -95.38 165.51 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 20' ' ' GLU . 10.6 t -93.16 169.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.6 mm-40 -96.03 -70.55 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.664 0.745 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.73 -54.13 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 1.6 mmp_? -35.19 -53.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.446 ' HE1' ' H ' ' A' ' 19' ' ' VAL . 3.2 mpp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' HD13 ' A' ' 18' ' ' LEU . 5.1 mmp_? -60.99 -66.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ARG . . . -35.95 -38.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -54.53 -54.15 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LEU . 12.0 mt -76.22 -45.77 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.599 HG23 HG11 ' A' ' 42' ' ' VAL . 99.2 m -34.14 -46.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.56 -33.4 31.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 24.1 tp -60.94 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -51.67 -44.04 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -62.46 -24.38 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -82.82 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.12 34.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.582 ' HB3' HD12 ' A' ' 16' ' ' ILE . 16.0 m-85 -125.59 124.0 40.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -73.41 113.55 10.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG11 HG23 ' A' ' 32' ' ' THR . 88.7 t -93.53 125.84 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.05 129.62 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.36 -55.53 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.93 145.15 38.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.3 p -48.32 129.56 15.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -152.38 165.57 34.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.9 m -52.81 -49.19 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' THR . 5.9 mt-10 -35.98 -44.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.56 106.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.9 p -106.54 -28.65 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.59 ' CE1' HG13 ' A' ' 14' ' ' VAL . 2.6 m80 -135.13 130.1 34.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' HB2' ' A' ' 81' ' ' PRO . 61.3 t -111.89 128.24 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -104.48 139.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.3 mtt -142.37 154.81 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -123.89 151.62 43.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 43.68 35.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -111.16 140.38 45.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -79.02 163.91 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.87 78.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.18 -30.28 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -57.76 -41.43 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.814 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -60.12 -51.27 70.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -52.88 -31.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.2 -28.26 48.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.425 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 14.3 t90 -80.94 -23.41 38.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.4 -31.96 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.02 -43.33 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.9 mmt180 -56.57 -30.59 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 5.2 mmm180 -63.18 -71.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.517 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 mmt -45.8 -25.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -64.58 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.39 9.53 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 71' ' ' MET . . . -87.06 156.59 54.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.2 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.18 10.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.222 . . . . 0.0 112.375 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.49 -38.59 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.1 130.77 48.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 80' ' ' PRO . 99.8 m -80.53 138.85 51.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.171 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.73 142.1 47.12 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.542 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.5 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.28 128.15 35.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.814 HD13 ' HB1' ' A' ' 63' ' ' ALA . 35.2 mt -84.23 94.37 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.627 HD22 HG21 ' A' ' 101' ' ' VAL . 7.7 mt -99.71 171.34 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -105.62 152.94 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 tp -47.19 -25.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.5 m -53.42 -34.93 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 66.7 t90 -75.99 -41.41 51.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.16 -61.68 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.696 ' HA ' HD12 ' A' ' 93' ' ' LEU . 45.9 p -44.09 -55.17 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.87 -49.14 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.6 m -57.97 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 90' ' ' THR . 12.7 mt -64.94 -41.89 95.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.25 -10.68 84.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.97 -14.88 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.27 -10.09 17.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -133.37 152.35 79.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.77 108.1 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.412 HG23 ' NE1' ' A' ' 88' ' ' TRP . 15.3 m -71.07 153.3 94.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.627 HG21 HD22 ' A' ' 84' ' ' LEU . 2.2 p -37.63 133.75 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -104.06 170.76 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.49 -39.54 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -58.9 -40.59 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 6.8 m170 -62.4 -37.52 86.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -62.09 144.08 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.83 103.02 10.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -148.71 154.4 39.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.618 HG22 ' N ' ' A' ' 110' ' ' ALA . 13.7 p -123.89 166.68 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.618 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -172.15 110.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.35 65.71 2.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.282 . . . . 0.0 112.36 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.06 -45.17 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.6 m-85 -129.73 84.63 60.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -32.32 3.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.86 HG23 ' CE1' ' A' ' 52' ' ' HIS . 2.4 p -98.08 110.95 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.863 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.64 110.55 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mt -89.31 134.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 3.1 t80 -120.74 124.69 45.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.24 130.87 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' GLU . 66.1 t -86.82 102.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 6.2 mt-10 -37.7 -60.24 0.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.74 144.99 55.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 60.13 42.3 15.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.9 ttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.6 tmm_? -36.78 -64.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.43 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -40.06 -43.89 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.83 -44.81 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.719 ' O ' HG21 ' A' ' 42' ' ' VAL . 20.8 m -41.12 -60.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.85 -39.02 94.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD23 HD13 ' A' ' 93' ' ' LEU . 9.5 tp -53.56 -59.08 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -46.77 -70.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptp180 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 45.4 t -65.52 -40.49 93.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 37.5 mmtt -69.58 -41.84 75.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.81 31.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 18.0 m-85 -126.46 126.1 43.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -65.26 113.16 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 32' ' ' THR . 30.3 t -90.92 119.32 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.863 HD11 ' HB1' ' A' ' 15' ' ' ALA . 5.9 mt -92.25 144.36 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.49 -33.61 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.72 158.29 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.05 109.3 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -128.17 43.77 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m 54.84 28.95 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.32 -36.77 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.09 107.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -106.67 -33.01 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.86 ' CE1' HG23 ' A' ' 14' ' ' VAL . 12.9 m80 -131.18 116.59 17.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -94.65 138.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.41 134.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mtt -140.9 145.84 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -112.82 144.46 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 44.54 51.48 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -120.72 144.7 48.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -82.59 156.22 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.76 -48.99 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.23 -42.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.76 -59.65 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -43.11 -60.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.8 t -39.52 -45.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -50.5 -53.67 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -65.59 -34.18 77.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 83' ' ' LEU . 29.1 tt0 -58.19 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.6 mm-40 -47.46 -50.67 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' GLU . 22.2 mmt180 -34.54 -46.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.93 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.03 -29.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.32 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.89 31.22 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.55 152.33 46.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.72 23.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.52 35.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.05 -41.86 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.7 t -51.51 123.6 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.74 153.87 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.37 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 158.45 56.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.22 113.1 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' A' ' 63' ' ' ALA . 87.2 mt -70.72 116.53 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.6 mt -121.73 166.89 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.475 ' HB3' HD21 ' A' ' 107' ' ' LEU . 32.6 p30 -107.15 155.46 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.748 HG13 HG23 ' A' ' 90' ' ' THR . 9.5 tp -39.24 -42.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.473 ' N ' HG23 ' A' ' 86' ' ' ILE . 39.6 t -37.94 -47.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.31 -62.77 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.53 ' HG ' HD11 ' A' ' 93' ' ' LEU . 19.8 tp -48.04 -60.45 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.748 HG23 HG13 ' A' ' 86' ' ' ILE . 30.6 p -44.01 -39.19 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.64 -53.04 14.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -53.93 -41.78 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.72 HD13 HD23 ' A' ' 34' ' ' LEU . 22.5 mt -64.99 -53.39 46.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.25 -7.26 24.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.22 -21.48 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.18 -16.31 39.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -128.15 152.54 77.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.461 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.1 Cg_endo -69.77 108.14 2.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.212 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.92 152.4 93.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' VAL . 54.1 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.393 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' PRO . 97.5 t -33.84 146.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -129.33 158.13 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.48 -45.03 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -60.77 -39.9 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.37 -53.64 40.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -44.63 133.0 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 85' ' ' ASP . 77.6 mt -116.3 97.48 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -156.69 151.27 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.618 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.8 p -115.77 169.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.07 134.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.41 65.54 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.771 0.319 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -48.9 -42.8 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.507 ' CD2' ' HD3' ' A' ' 98' ' ' PRO . 14.1 m-85 -120.25 83.75 33.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.81 18.85 56.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.4 t -143.56 111.13 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.99 110.15 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.9 mt -98.69 147.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.07 122.74 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -93.14 133.18 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 20' ' ' GLU . 1.8 t -72.79 169.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.641 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.6 mt-10 -104.57 -71.41 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.9 mmp_? -116.83 -31.45 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' NH2' HG12 ' A' ' 86' ' ' ILE . 18.1 tpt180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.809 0.337 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -72.77 -60.57 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.21 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 3.1 t80 -38.87 -43.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.65 -48.99 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.499 HG23 HG11 ' A' ' 42' ' ' VAL . 87.3 m -39.48 -61.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.43 99.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 HD13 ' A' ' 93' ' ' LEU . 15.0 tp -55.26 -61.05 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -43.33 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 49.8 mtt180 -37.85 -48.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t -60.32 -37.9 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ALA . 68.1 mmtt -71.22 -41.41 70.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.59 28.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 49.9 m-85 -113.98 124.42 52.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.01 117.7 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 32' ' ' THR . 61.9 t -96.89 129.66 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -93.96 142.54 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -82.83 -43.18 16.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.9 158.81 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.23 117.02 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -143.0 160.88 39.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -39.32 -44.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' THR . 16.6 mt-10 -41.22 -46.26 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.3 114.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 49' ' ' GLU . 29.8 p -121.48 -20.17 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -149.13 116.68 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 81' ' ' PRO . 97.0 t -97.16 141.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG11 HD22 ' A' ' 89' ' ' LEU . 58.0 t -115.7 128.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.71 143.02 49.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.13 137.34 46.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 47.38 51.8 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -120.58 145.35 47.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -83.26 152.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -52.64 -41.27 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.42 -27.44 56.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.38 -50.51 71.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -48.14 -55.06 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' GLN . 98.4 t -45.88 -56.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -45.71 -43.0 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.534 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 19.4 t90 -76.88 -20.63 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.721 ' HB2' HD11 ' A' ' 83' ' ' LEU . 44.6 tt0 -78.84 -32.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.17 -40.37 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 4.4 mmp_? -50.6 -36.36 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.3 mmm180 -60.1 -70.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 mmt -44.26 -24.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -73.05 -44.05 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.87 15.51 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -102.59 154.16 37.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 155.68 65.36 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.28 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.9 -32.62 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.79 137.9 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -88.44 131.35 42.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.75 . . . . 0.0 111.1 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.04 63.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.534 ' HB2' HG23 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.72 157.57 60.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.03 113.13 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 67' ' ' GLN . 62.9 mt -71.76 97.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.98 170.37 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.443 ' HB2' HD21 ' A' ' 107' ' ' LEU . 14.1 t70 -105.71 158.56 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.41 HG12 ' NH2' ' A' ' 27' ' ' ARG . 7.9 tp -44.11 -35.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -47.69 -39.18 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -66.25 -51.88 53.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' HG ' HD11 ' A' ' 93' ' ' LEU . 19.2 tp -54.68 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -39.58 -47.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.64 -45.47 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 m -59.71 -50.79 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.699 HD13 HD23 ' A' ' 34' ' ' LEU . 14.3 mt -57.7 -48.33 79.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.75 -22.51 70.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.13 22.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.78 -16.26 12.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.65 151.97 76.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.73 108.66 2.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.87 151.39 90.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -40.58 147.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -120.12 169.5 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.35 -11.81 60.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -100.67 -25.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -69.72 -47.61 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 14.8 mtp-105 -47.61 146.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 85' ' ' ASP . 23.1 mt -121.93 85.42 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.532 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 22.2 tt0 -132.86 164.65 26.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 110' ' ' ALA . 5.3 p -133.62 168.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.577 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 127.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.88 61.88 6.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.762 0.315 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -62.87 -47.54 82.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.2 m-85 -116.44 82.61 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.45 14.83 60.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' CE1' ' A' ' 52' ' ' HIS . 57.6 t -135.03 120.17 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.16 109.95 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 40' ' ' PHE . 62.8 mt -99.93 131.09 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -123.81 125.97 45.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.69 135.36 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.72 HG13 ' CZ2' ' A' ' 66' ' ' TRP . 2.6 t -64.42 109.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 16.9 mt-10 -39.2 -64.13 0.54 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.594 0.711 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.72 -90.89 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' PRO . 4.1 tpm_? -35.36 148.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.16 -58.31 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.94 -52.21 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.14 -51.24 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.7 mt -69.24 -52.08 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 59.0 m -36.45 -60.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.64 -47.5 88.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 93' ' ' LEU . 12.5 tp -46.82 -59.36 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -49.04 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.1 mtt-85 -36.62 -40.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -67.17 -43.37 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ALA . 62.7 mmtt -64.55 -51.2 64.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.82 34.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 54.7 m-85 -116.12 144.42 44.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -87.97 115.72 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.4 122.94 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.51 HD11 ' HB1' ' A' ' 15' ' ' ALA . 17.2 mt -82.46 149.85 27.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -83.04 -46.0 13.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.94 177.65 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.39 87.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.0 t -100.47 155.28 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -58.39 -17.11 17.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 51' ' ' THR . 18.1 mm-40 -66.61 -36.86 83.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.42 92.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' GLU . 27.5 p -89.69 -27.27 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.68 ' CE1' HG13 ' A' ' 14' ' ' VAL . 5.0 m80 -136.56 135.92 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.19 137.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -104.46 131.12 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.6 ' HG2' HG21 ' A' ' 19' ' ' VAL . 5.2 mtt -143.24 123.33 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -109.26 148.72 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 52.35 33.57 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.3 m -114.97 131.69 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLU . 50.3 m -70.39 140.63 52.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -43.17 -38.51 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.36 -33.0 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' SER . 12.5 mm-40 -59.96 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.586 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -60.08 -52.87 63.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.55 -26.2 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -84.48 -32.82 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.72 ' CZ2' HG13 ' A' ' 19' ' ' VAL . 27.4 t90 -75.67 -25.97 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.965 ' HG2' HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -84.59 -23.93 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.5 mt-10 -57.97 -57.06 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' GLU . 21.6 mmt85 -37.89 -37.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.7 mtp-105 -70.09 -64.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.68 -19.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.96 -40.17 47.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.3 17.8 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 148.15 45.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.545 0.688 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.82 43.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.32 -17.36 48.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.77 136.9 57.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 80' ' ' PRO . 84.9 m -87.91 138.28 31.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.8 136.13 32.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.56 69.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.965 HD11 ' HG2' ' A' ' 67' ' ' GLN . 5.1 mt -71.18 127.78 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 83' ' ' LEU . 19.0 mt -138.99 172.89 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -108.46 159.22 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.436 HG13 HG23 ' A' ' 90' ' ' THR . 8.2 tp -46.04 -36.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -45.55 -38.26 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.19 -60.93 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -47.04 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.436 HG23 HG13 ' A' ' 86' ' ' ILE . 36.2 p -46.24 -50.95 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.73 -33.68 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -75.95 -35.44 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.558 HD13 HD23 ' A' ' 34' ' ' LEU . 64.7 mt -70.09 -49.64 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -22.41 69.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.17 -15.37 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.15 -17.89 8.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -125.07 152.34 70.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.412 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.75 108.13 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.1 m -71.3 152.26 94.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.4 16.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.39 134.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 4.3 pt-20 -116.33 179.02 4.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.63 -52.63 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -56.8 -26.74 58.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.423 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 39.2 m170 -74.82 -41.22 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -58.3 126.9 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.618 HD11 ' O ' ' A' ' 84' ' ' LEU . 11.3 mt -107.49 90.54 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 13.9 tt0 -141.57 157.53 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.2 p -121.15 169.36 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.587 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.12 120.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.52 67.22 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.795 0.331 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -47.92 -40.17 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.8 m-85 -132.14 87.09 44.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -11.26 30.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.48 32.91 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -153.41 122.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 49' ' ' GLU . . . -127.08 126.48 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.1 mt -113.04 140.96 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -117.95 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.93 124.28 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 95.2 t -76.14 105.66 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 5.9 mp0 -38.09 -60.07 1.07 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.72 168.58 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 41.84 40.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.7 tpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' ARG . 3.0 tpm_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' ARG . 55.1 mtm180 -36.21 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.57 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -38.79 -50.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.34 -51.32 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 m -39.5 -48.45 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.23 -41.87 12.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.783 HD23 HD13 ' A' ' 93' ' ' LEU . 15.8 tp -50.79 -52.41 41.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -57.95 -57.05 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -44.34 -44.23 8.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -63.64 -40.45 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HG3' HD23 ' A' ' 93' ' ' LEU . 73.9 mmtt -68.43 -57.22 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.51 35.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.52 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 21.4 m-85 -123.49 122.9 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 136.03 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.22 123.79 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.1 mt -86.79 138.12 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.86 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.85 173.42 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.5 p -67.71 117.16 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -144.71 166.29 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -46.39 -45.49 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.6 mp0 -44.58 -35.48 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 113.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -38.02 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -125.68 113.79 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -95.89 128.24 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 HD22 ' A' ' 89' ' ' LEU . 58.7 t -93.65 129.24 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.8 mtt -128.53 111.14 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.74 130.71 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 60.65 47.01 8.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.5 m -124.94 139.94 53.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.79 174.69 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.65 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.72 -37.0 50.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -50.71 -44.03 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.978 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -59.41 -51.17 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 57.2 t -53.98 -30.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 t -82.13 -49.95 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -59.66 -28.26 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.6 pt20 -78.44 -34.48 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 4.4 mm-40 -64.19 -42.15 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -48.72 -44.06 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' ALA . 14.0 mtp-105 -64.42 -58.23 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -33.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.33 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.41 22.76 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -97.68 154.23 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.02 47.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.64 21.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.94 9.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.6 t -60.86 123.75 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.83 153.86 39.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.18 10.83 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.8 69.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.0 108.0 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.978 HD13 ' HB1' ' A' ' 63' ' ' ALA . 25.7 mt -67.22 116.49 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 107' ' ' LEU . 81.4 mt -120.39 170.33 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.67 151.25 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.653 HD13 HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -48.72 -40.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 86' ' ' ILE . 11.8 t -45.04 -40.18 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -62.98 -45.72 91.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 93' ' ' LEU . 13.4 tp -54.72 -55.99 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.653 HG23 HD13 ' A' ' 86' ' ' ILE . 34.9 p -56.33 -33.27 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -41.56 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 m -68.88 -43.32 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.783 HD13 HD23 ' A' ' 34' ' ' LEU . 6.1 mt -62.88 -51.08 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.71 -15.29 47.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.88 -14.55 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.31 -13.47 33.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -133.67 151.59 77.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.589 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.78 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.37 152.53 92.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.35 15.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.8 t -51.01 132.42 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -114.15 164.98 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 p -51.85 -37.28 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -69.38 -39.83 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.47 -49.62 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -45.92 138.14 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 84' ' ' LEU . 55.2 mt -113.57 93.51 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -149.99 151.94 34.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 110' ' ' ALA . 5.9 p -113.26 171.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.633 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.1 128.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.25 67.63 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.368 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 mmt180 -40.88 -49.94 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.4 m-85 -125.96 90.62 49.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.13 25.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.29 26.73 5.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -148.54 113.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -119.34 120.52 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.16 128.77 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -108.63 122.59 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.85 124.92 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.558 HG12 ' HG2' ' A' ' 21' ' ' PRO . 16.9 t -77.22 97.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -41.81 -54.1 7.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.902 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.5 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 63.13 52.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 tpp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.5 tmm_? -35.5 -64.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -39.6 -43.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.84 -49.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.6 m -39.17 -55.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.72 82.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.907 HD23 HD13 ' A' ' 93' ' ' LEU . 11.3 tp -54.5 -58.8 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -46.95 -60.99 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -44.31 -44.48 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -65.55 -39.09 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -67.91 -56.68 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 146.55 33.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.487 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 16.3 m-85 -122.16 134.46 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -82.1 119.54 24.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.08 123.7 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.577 HD11 ' HB1' ' A' ' 15' ' ' ALA . 40.9 mt -88.54 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.97 -63.76 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.53 -75.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -174.63 110.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 m -110.47 24.78 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 m 60.27 27.2 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 51' ' ' THR . 7.5 mt-10 -115.18 -26.06 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.53 120.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 49' ' ' GLU . 10.3 p -123.57 -26.58 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -139.64 112.64 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 81' ' ' PRO . 98.6 t -93.37 138.71 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.594 HG13 ' HA ' ' A' ' 86' ' ' ILE . 50.4 t -105.75 120.1 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.473 ' HG2' HG21 ' A' ' 19' ' ' VAL . 19.8 mtt -119.69 155.79 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -131.6 134.4 45.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 47.28 53.05 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.8 m -133.84 135.22 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.3 m -68.43 169.12 11.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.62 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.15 -48.21 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -48.91 -35.84 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -62.71 -53.72 50.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -46.06 -52.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -50.41 -57.21 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -54.17 -37.65 64.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.587 ' HB2' HD11 ' A' ' 83' ' ' LEU . 37.8 tp60 -63.49 -50.06 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -41.35 -46.09 3.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.702 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.4 mmp_? -38.43 -60.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -47.2 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -43.16 -25.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -70.01 -47.13 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.91 24.16 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -101.71 159.85 28.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.1 Cg_endo -69.78 150.44 68.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.65 30.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.43 -43.83 2.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.0 m -54.18 117.88 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.423 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 12.4 m -76.14 135.6 69.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 111.132 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.4 Cg_endo -69.74 153.76 68.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.8 Cg_endo -69.8 172.62 12.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.82 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 63' ' ' ALA . 51.5 mt -72.52 100.49 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.552 ' O ' HD11 ' A' ' 107' ' ' LEU . 20.9 mt -111.35 175.64 5.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -105.62 153.46 21.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.594 ' HA ' HG13 ' A' ' 54' ' ' VAL . 6.8 tp -45.31 -26.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -53.06 -42.23 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.52 -53.48 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 54' ' ' VAL . 30.7 tp -53.02 -65.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' LEU . 77.2 p -34.13 -51.38 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.07 -47.38 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 53.9 m -57.67 -52.53 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.907 HD13 HD23 ' A' ' 34' ' ' LEU . 43.9 mt -57.22 -51.17 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.78 -15.41 48.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.491 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.69 -13.8 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.29 -12.27 26.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -132.67 152.4 79.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.74 108.97 2.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m -71.81 152.92 93.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.76 92.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 84' ' ' LEU . 3.1 p -35.02 146.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -113.69 -176.59 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 12.9 t -67.27 -46.6 73.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -54.71 -43.26 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -54.23 -48.39 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -49.77 142.43 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.552 HD11 ' O ' ' A' ' 84' ' ' LEU . 5.7 mt -119.2 91.07 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 3.2 tm-20 -138.69 153.93 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 110' ' ' ALA . 7.5 p -120.74 170.96 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.11 130.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.01 66.31 2.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.431 HG21 ' HA ' ' A' ' 12' ' ' PRO . 13.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -51.44 -49.68 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.63 84.57 53.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HA ' HG21 ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.75 -40.92 4.76 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -30.25 19.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.845 HG23 ' CE1' ' A' ' 52' ' ' HIS . 2.1 p -105.54 114.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.39 116.65 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 40' ' ' PHE . 38.0 mt -97.72 137.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -119.73 129.17 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.79 131.98 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.826 HG11 ' CB ' ' A' ' 22' ' ' ARG . 2.0 t -68.72 142.18 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.597 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 6.5 mt-10 -84.77 -68.48 0.16 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.78 -51.93 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.826 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -50.8 -57.77 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 28' ' ' ARG . 3.1 tmt_? -52.32 -43.75 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.73 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 9.7 t80 -43.12 -53.13 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.94 -45.44 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.849 HG23 HG11 ' A' ' 42' ' ' VAL . 93.5 m -38.35 -61.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.03 -32.66 81.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 93' ' ' LEU . 11.1 tp -67.26 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.05 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -50.24 -46.34 54.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.9 t -58.63 -28.65 65.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -84.73 -34.12 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.97 31.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.533 ' HB3' HD12 ' A' ' 16' ' ' ILE . 26.9 m-85 -125.35 117.47 23.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -55.53 117.62 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.849 HG11 HG23 ' A' ' 32' ' ' THR . 61.8 t -95.14 124.03 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -96.13 132.36 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.78 -46.61 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.65 172.35 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.53 116.74 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -139.1 157.97 45.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -43.67 -45.68 7.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 51' ' ' THR . 6.6 mp0 -42.63 -40.92 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.62 109.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 49' ' ' GLU . 70.9 p -103.2 -37.67 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.845 ' CE1' HG23 ' A' ' 14' ' ' VAL . 12.0 m80 -136.35 133.82 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.78 119.98 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' ' 86' ' ' ILE . 62.1 t -93.62 121.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.1 mtt -124.32 135.44 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.5 mt-10 -106.53 156.43 18.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.8 pt-20 37.11 40.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' ' 62' ' ' GLU . 97.7 m -111.22 128.19 55.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 t -68.52 151.03 47.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -45.99 -36.51 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.77 -41.83 15.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 58' ' ' THR . 4.0 tp10 -51.89 -37.21 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 -70.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -47.88 -34.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -66.09 -60.31 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.524 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 2.1 t90 -46.68 -22.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.523 ' CB ' HD11 ' A' ' 83' ' ' LEU . 17.9 tp60 -79.16 -48.23 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.81 -38.61 16.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.63 -36.57 69.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -67.18 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.418 ' SD ' ' NE2' ' A' ' 67' ' ' GLN . 41.3 mmm -39.94 -27.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -71.2 -52.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.84 17.96 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -77.68 147.63 75.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.65 33.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 131.85 22.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.287 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.71 10.85 72.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.2 p -71.16 159.44 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' HD2' ' A' ' 80' ' ' PRO . 97.9 m -120.41 135.33 24.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 111.202 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.531 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.77 113.44 3.38 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.71 169.22 19.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.33 99.94 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 67' ' ' GLN . 8.1 mt -69.4 111.7 5.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.08 175.94 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.589 ' HB2' HD21 ' A' ' 107' ' ' LEU . 10.7 t70 -107.07 152.79 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.471 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.5 tp -43.49 -29.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -52.59 -42.05 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 105' ' ' HIS . 73.0 t90 -66.24 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.463 HD22 HG11 ' A' ' 54' ' ' VAL . 13.8 tp -75.75 -61.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.406 ' HA ' HD12 ' A' ' 93' ' ' LEU . 11.6 p -39.35 -34.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.31 -43.4 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' LEU . 15.4 m -65.62 -46.0 80.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.514 HD13 HD23 ' A' ' 34' ' ' LEU . 10.3 mt -57.97 -51.95 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.01 61.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.67 -15.05 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 -9.6 24.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -134.54 152.37 77.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG22 ' OG ' ' A' ' 92' ' ' SER . 13.9 m -71.23 153.44 94.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -41.3 151.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 13.0 pt-20 -130.83 165.95 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.3 m -56.26 -33.2 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -69.91 -26.58 64.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 88' ' ' TRP . 21.8 m170 -76.94 -46.28 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -45.31 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.589 HD21 ' HB2' ' A' ' 85' ' ' ASP . 18.8 mt -126.41 118.39 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.805 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 13.3 tt0 -166.5 161.26 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.634 HG22 ' H ' ' A' ' 110' ' ' ALA . 8.9 p -123.26 170.5 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.634 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.08 114.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.66 64.75 3.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -90.38 -46.01 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -73.27 171.1 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.09 62.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -112.44 157.17 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -153.74 144.27 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.36 -54.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -122.84 110.86 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t -41.4 150.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -58.66 -41.17 85.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.7 m-85 -125.26 81.69 63.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -37.8 8.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.5 -32.55 38.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.777 HG23 ' ND1' ' A' ' 52' ' ' HIS . 2.1 p -102.98 114.57 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.37 114.44 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.534 HG23 HG23 ' A' ' 54' ' ' VAL . 35.0 mt -93.55 133.9 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 25.3 t80 -131.38 135.87 47.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.886 HD23 ' HB ' ' A' ' 54' ' ' VAL . 1.2 mt -101.86 165.78 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.713 HG12 ' HD2' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -108.31 142.67 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.4 mt-10 -70.88 -57.27 5.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.713 ' HD2' HG12 ' A' ' 19' ' ' VAL . 54.2 Cg_endo -69.73 5.37 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.392 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 10.0 tpp180 -123.86 -31.55 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.599 ' SD ' HD22 ' A' ' 18' ' ' LEU . 12.0 ttm -111.1 -44.06 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.08 173.51 17.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -86.32 -36.62 19.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -84.52 -59.13 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ARG . 34.2 ttp180 -49.9 -50.74 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.413 ' HG3' HD12 ' A' ' 18' ' ' LEU . 8.2 ttp85 -38.29 -53.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.97 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -39.81 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' SD ' ' A' ' 23' ' ' MET . 30.4 mt -67.22 -45.68 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.917 HG23 HG11 ' A' ' 42' ' ' VAL . 97.3 m -41.37 -52.06 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.33 -44.61 21.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD23 HD13 ' A' ' 93' ' ' LEU . 31.1 tp -49.52 -56.21 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.97 22.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -42.68 -42.03 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 m -65.68 -37.15 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -68.04 -53.8 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.19 34.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -122.61 142.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -92.28 115.67 28.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.917 HG11 HG23 ' A' ' 32' ' ' THR . 90.8 t -95.83 125.91 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.62 131.25 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.71 -57.45 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.21 144.01 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -49.62 115.46 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -134.18 151.79 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -44.39 -36.71 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 51' ' ' THR . 1.6 mp0 -50.99 -40.22 57.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.22 114.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 49' ' ' GLU . 36.3 p -108.09 -36.29 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.777 ' ND1' HG23 ' A' ' 14' ' ' VAL . 28.9 m80 -126.76 131.47 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 81' ' ' PRO . 25.0 t -109.31 130.21 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.886 ' HB ' HD23 ' A' ' 18' ' ' LEU . 88.0 t -98.48 117.44 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.3 mtt -122.51 135.25 54.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -106.87 131.33 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 59.84 46.86 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 62' ' ' GLU . 91.3 m -119.69 134.67 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -76.79 151.66 35.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.08 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.4 pt-20 -78.89 -49.37 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HB3' HG23 ' A' ' 58' ' ' THR . 8.6 mm-40 -39.15 -51.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -46.49 -54.06 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.1 t -48.5 -49.54 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -47.21 -44.87 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -75.13 -23.72 57.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.796 ' HB2' HD11 ' A' ' 83' ' ' LEU . 35.5 tt0 -71.27 -34.94 71.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.4 -44.21 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -49.12 -37.01 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 4.3 mmm180 -61.61 -60.43 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.2 mmt -53.98 -21.38 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -43.11 54.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.94 19.91 18.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.16 148.68 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 159.61 52.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.71 63.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.75 -29.67 3.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.45 123.65 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.617 HG23 ' HD2' ' A' ' 80' ' ' PRO . 87.5 m -78.54 138.32 58.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.78 144.47 54.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.436 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.7 Cg_endo -69.81 142.3 47.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.75 114.48 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.796 HD11 ' HB2' ' A' ' 67' ' ' GLN . 13.4 mt -75.78 120.7 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 83' ' ' LEU . 6.3 mt -126.71 177.32 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -106.54 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 HG23 ' A' ' 90' ' ' THR . 7.1 tp -61.81 -33.37 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 t -47.7 -48.94 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.83 -55.43 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' SER . 33.9 tp -51.72 -64.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.401 HG23 HG13 ' A' ' 86' ' ' ILE . 40.4 p -41.01 -52.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.75 -35.1 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . 24.9 m -69.59 -51.8 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.492 HD13 HD23 ' A' ' 34' ' ' LEU . 11.7 mt -53.71 -49.12 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.05 -21.09 67.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.05 -13.65 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.09 15.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.27 152.35 78.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.591 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.4 Cg_endo -69.71 108.27 2.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.1 m -67.65 153.01 95.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.19 7.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 102' ' ' GLU . 88.8 t -46.66 152.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.418 ' N ' HG12 ' A' ' 101' ' ' VAL . 7.6 pt-20 -141.66 159.78 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.4 -55.72 2.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -49.64 -41.33 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.21 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -48.46 129.93 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.555 HD11 ' O ' ' A' ' 84' ' ' LEU . 8.7 mt -107.18 96.46 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -145.71 162.78 36.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.611 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.8 p -135.56 169.96 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.611 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 136.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.27 65.98 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.96 47.76 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -105.02 164.37 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -140.78 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.18 163.04 24.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 172.9 11.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.49 126.31 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m -159.65 150.44 15.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 44.87 30.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 178.89 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.2 mmm -112.28 142.12 26.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.91 -36.76 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.525 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 7.2 p90 -85.31 36.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.55 40.06 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 83.0 m -135.23 132.09 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.9 p -150.52 173.14 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.95 146.3 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.29 16.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -163.9 169.49 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 84.4 p -153.37 160.05 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -139.31 158.6 43.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -61.0 131.62 51.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.85 114.22 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -109.22 42.62 1.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -84.86 152.18 23.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.1 79.59 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.4 p -163.65 146.8 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 0.0 110.881 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -161.33 148.3 14.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -54.26 -49.0 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.2 m-85 -121.95 82.53 43.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -30.25 22.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.0 -33.54 69.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.83 HG23 ' CE1' ' A' ' 52' ' ' HIS . 1.3 p -102.18 114.59 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -112.99 112.81 24.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 17' ' ' TYR . 73.6 mt -90.87 154.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 45' ' ' ALA . 69.8 t80 -134.12 143.47 47.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' ' HG3' ' A' ' 28' ' ' ARG . 12.7 mt -115.32 141.16 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.548 HG12 ' HD2' ' A' ' 21' ' ' PRO . 2.7 t -80.42 160.82 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 mm-40 -87.02 -68.69 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.1 Cg_endo -69.8 -52.0 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 19' ' ' VAL . 2.6 mmp_? -48.86 -61.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.0 mmm -73.81 -54.74 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.14 145.25 7.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -52.94 -51.03 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -77.1 -52.48 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -47.21 -55.25 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 52.5 ttt-85 -54.78 -60.17 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.48 -56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -40.49 -55.67 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 65.2 mt -63.29 -47.95 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.532 ' HA ' HG21 ' A' ' 42' ' ' VAL . 86.9 m -37.69 -65.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.31 -45.28 95.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -53.31 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -41.55 -66.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 95.8 mtt180 -37.18 -45.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 30.8 mmtm -62.6 -49.57 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.03 33.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.635 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 7.1 m-85 -130.96 128.76 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -84.62 116.05 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 32' ' ' THR . 61.6 t -89.09 130.15 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD11 ' HB1' ' A' ' 15' ' ' ALA . 18.9 mt -91.78 143.51 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.08 22.86 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -170.77 -178.58 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.45 82.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.8 m -113.45 177.24 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 p -48.53 -40.98 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -46.97 -43.59 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.56 113.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.0 p -98.6 -29.85 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.83 ' CE1' HG23 ' A' ' 14' ' ' VAL . 11.7 m80 -139.36 150.3 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 t -124.39 131.02 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG11 HD22 ' A' ' 89' ' ' LEU . 38.8 t -104.77 129.18 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.5 ' HG2' HG21 ' A' ' 19' ' ' VAL . 6.3 mtt -137.47 130.89 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.91 144.42 26.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 50.76 38.79 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.3 m -119.49 136.32 54.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.2 p -88.91 178.12 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -65.36 -47.01 77.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.7 pt-20 -66.68 -52.08 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 30.0 tt0 -46.26 -51.22 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.768 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -47.22 -60.6 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.7 t -46.82 -46.52 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -53.48 -53.91 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.454 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 27.2 t90 -65.47 -28.19 69.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.677 ' HB2' HD11 ' A' ' 83' ' ' LEU . 32.8 tt0 -68.7 -39.92 80.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -65.41 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.47 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 20.5 mtt-85 -66.8 -56.01 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 mmm -41.78 -29.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.95 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.64 8.36 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -72.89 157.53 88.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.6 Cg_endo -69.83 164.1 35.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.9 22.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -14.75 64.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -64.55 135.43 55.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.666 HG23 ' HD2' ' A' ' 80' ' ' PRO . 92.8 m -104.86 139.07 19.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 111.157 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.72 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.14 110.5 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.768 HD13 ' HB1' ' A' ' 63' ' ' ALA . 44.5 mt -69.71 116.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 107' ' ' LEU . 10.2 mt -120.22 171.17 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.452 ' HB2' HD21 ' A' ' 107' ' ' LEU . 38.8 t70 -107.5 149.72 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.816 HG13 HG23 ' A' ' 90' ' ' THR . 4.2 tp -36.24 -35.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -42.1 -48.37 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.92 -55.63 31.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' SER . 21.0 tp -55.2 -62.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.816 HG23 HG13 ' A' ' 86' ' ' ILE . 12.8 p -37.47 -55.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.75 -33.95 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.522 ' OG ' HG22 ' A' ' 99' ' ' VAL . 50.8 m -71.06 -45.43 63.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.5 -57.02 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.01 -14.48 38.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.51 -15.49 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.06 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -134.32 152.25 77.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG22 ' OG ' ' A' ' 92' ' ' SER . 19.6 m -69.63 150.9 96.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 99.19 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 105' ' ' HIS . 1.9 p -40.51 147.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -120.41 168.33 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.1 -37.07 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.427 ' CB ' HG23 ' A' ' 101' ' ' VAL . 6.7 m170 -67.91 -53.09 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -43.3 144.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.646 HD11 ' O ' ' A' ' 84' ' ' LEU . 13.9 mt -115.96 98.49 6.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 12.4 tt0 -149.07 153.89 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.599 HG22 ' N ' ' A' ' 110' ' ' ALA . 10.8 p -128.71 167.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.599 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -170.24 115.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.68 59.84 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 129.67 18.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -104.73 90.7 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -117.95 138.13 52.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.14 69.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 179.15 3.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.83 20.01 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 m -151.84 153.66 31.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.09 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.52 175.63 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.507 ' CG ' ' N ' ' A' ' 122' ' ' MET . 1.2 t-105 -120.38 160.21 23.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.507 ' N ' ' CG ' ' A' ' 121' ' ' TRP . 4.4 ptp -172.6 143.22 1.19 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.687 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -177.44 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.85 -29.21 8.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.3 OUTLIER -87.05 33.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.57 92.13 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.9 t -169.73 166.74 9.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 t -170.47 145.53 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.33 67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 150.24 67.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.252 . . . . 0.0 112.35 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -167.21 119.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -130.75 89.29 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -175.01 129.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -140.82 147.53 39.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.51 166.4 36.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -160.57 143.35 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -103.78 151.06 23.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -77.99 1.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' THR . 43.9 t -39.87 158.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.954 0.406 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' SER . 9.2 t -34.93 146.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -49.25 -43.35 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.44 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 25.0 m-85 -117.46 82.76 15.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.89 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.84 -31.61 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.033 HG23 ' CE1' ' A' ' 52' ' ' HIS . 12.3 p -93.63 107.74 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.02 110.73 18.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 54' ' ' VAL . 18.6 mt -92.45 137.68 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -116.76 126.2 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.71 126.59 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG12 ' HG2' ' A' ' 21' ' ' PRO . 18.8 t -80.06 98.43 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.0 mt-10 -34.51 -60.07 0.54 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HG2' HG12 ' A' ' 19' ' ' VAL . 54.2 Cg_endo -69.76 143.36 50.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 59.78 42.31 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.1 tpp -131.73 -51.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 164.41 10.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -79.97 -61.55 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -86.06 -53.14 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -39.51 -52.79 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -39.65 -48.61 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.25 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' HD22 ' A' ' 34' ' ' LEU . 21.2 t80 -40.62 -50.48 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.04 -43.77 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.487 HG23 HG11 ' A' ' 42' ' ' VAL . 94.1 m -40.64 -62.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.02 -41.14 72.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.712 HD23 HD13 ' A' ' 93' ' ' LEU . 28.7 tp -47.91 -57.72 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.16 -58.75 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.043 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -43.97 -42.15 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -64.76 -38.98 92.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -67.29 -54.98 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.04 34.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 24.8 m-85 -119.48 139.86 51.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -83.43 110.06 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 HG23 ' A' ' 32' ' ' THR . 92.3 t -93.97 125.62 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.5 127.01 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.12 -49.91 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.08 162.88 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.3 118.51 6.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -139.0 153.95 48.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 p -49.94 -27.81 5.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -56.92 -40.52 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.58 108.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.535 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.7 p -95.26 -47.01 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.033 ' CE1' HG23 ' A' ' 14' ' ' VAL . 6.9 m80 -124.6 143.01 50.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.6 t -115.74 138.35 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 HD22 ' A' ' 89' ' ' LEU . 60.6 t -105.89 124.91 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.659 ' SD ' HG21 ' A' ' 58' ' ' THR . 19.3 mtt -128.5 117.45 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.41 140.4 29.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 46.13 46.99 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.659 HG21 ' SD ' ' A' ' 55' ' ' MET . 86.2 m -121.1 131.69 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -69.35 158.99 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.48 90.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.8 -42.57 49.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' HG23 ' A' ' 58' ' ' THR . 40.7 tt0 -53.51 -44.85 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.91 65.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.65 -50.88 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -49.42 -63.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -43.57 -40.53 4.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' NE2' ' HD2' ' A' ' 81' ' ' PRO . 7.5 tp-100 -67.15 -51.71 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ARG . 54.1 mm-40 -38.1 -48.99 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' GLU . 8.4 mmm180 -36.42 -47.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.9 mtp180 -62.56 -59.54 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.44 -34.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.61 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.91 24.76 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -106.71 151.86 40.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.31 57.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.22 25.08 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 -29.66 12.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.8 p -55.44 126.48 25.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.8 m -98.65 130.84 27.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.707 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HD2' ' NE2' ' A' ' 67' ' ' GLN . 53.1 Cg_endo -69.77 172.31 12.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 111.85 20.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -76.04 106.39 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 101' ' ' VAL . 47.6 mt -112.11 174.23 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.431 ' HB2' HD21 ' A' ' 107' ' ' LEU . 5.0 t70 -108.07 155.42 20.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.5 tp -45.53 -22.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -58.32 -43.78 88.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.99 -54.18 38.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 54' ' ' VAL . 27.4 tp -50.75 -61.67 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -46.66 -43.96 18.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.03 -41.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -68.18 -47.65 67.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.712 HD13 HD23 ' A' ' 34' ' ' LEU . 17.0 mt -59.51 -51.14 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -14.16 46.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.02 -12.87 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.82 -12.73 21.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -132.66 152.48 80.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.82 108.85 2.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.68 152.6 95.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 93.74 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 84' ' ' LEU . 5.4 p -40.08 148.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -130.74 169.18 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 88.1 m -49.57 -49.82 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -49.58 -42.23 43.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -67.35 -43.13 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -53.41 132.8 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 85' ' ' ASP . 46.9 mt -102.75 95.89 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.77 154.09 43.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.609 HG22 ' N ' ' A' ' 110' ' ' ALA . 11.7 p -123.04 167.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.609 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -175.03 131.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 53.63 63.11 5.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 168.67 20.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.68 172.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.67 141.07 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.31 -114.44 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -176.83 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 117' ' ' LEU . 2.4 pt? -131.28 145.38 51.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.6 m -160.49 144.08 10.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -47.28 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.8 -177.34 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -112.88 143.64 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 65.3 mtp -151.97 138.63 12.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -179.85 3.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.39 -31.75 11.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.489 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 2.0 p90 -85.31 34.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.64 84.18 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.3 m -128.95 151.44 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.1 m -158.03 120.93 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -118.2 83.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.23 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 p -149.38 158.18 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 t -121.5 -57.48 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -107.59 112.28 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -118.96 100.45 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.6 164.31 25.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -52.4 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -84.82 -56.35 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.08 -85.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 t -69.47 107.24 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.99 0.424 . . . . 0.0 110.859 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t -52.6 142.54 17.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -52.21 -47.09 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 7.8 m-85 -122.17 83.69 45.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.45 28.7 13.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.3 119.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 49' ' ' GLU . . . -119.47 116.39 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 52' ' ' HIS . 28.6 mt -107.64 139.81 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -120.67 124.47 45.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.08 130.41 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.76 HG21 ' HG2' ' A' ' 55' ' ' MET . 2.9 t -62.85 149.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.609 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.5 mm-40 -87.46 -68.87 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.71 -51.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.743 ' CB ' HG11 ' A' ' 19' ' ' VAL . 20.9 tpp180 -46.17 -24.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.406 ' CE ' ' H ' ' A' ' 19' ' ' VAL . 31.5 mtm -117.96 -68.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' GLU . . . 144.49 175.64 17.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.549 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -77.21 -54.59 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 m -69.68 -57.94 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -45.42 -37.87 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.56 -57.94 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.26 -47.27 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -44.36 -65.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.46 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -40.66 -62.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.57 -49.73 75.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.674 ' CD2' HD22 ' A' ' 93' ' ' LEU . 15.2 tp -47.5 -58.61 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.941 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -45.9 -65.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 80.9 mtt180 -37.52 -38.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -72.12 -45.87 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.606 ' HG3' HD23 ' A' ' 93' ' ' LEU . 21.7 mmtp -58.54 -42.2 87.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.26 26.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 40.9 m-85 -109.11 143.87 37.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -90.2 115.71 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.0 t -99.85 132.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.43 148.18 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -43.93 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.44 169.18 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.21 146.46 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -172.62 -178.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -82.1 -12.3 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.699 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 33.0 mt-10 -70.61 -31.86 69.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 107.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.56 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 3.0 p -113.75 -26.84 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.56 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 1.5 m80 -144.79 109.29 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -96.9 122.2 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 t -93.28 141.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.76 ' HG2' HG21 ' A' ' 19' ' ' VAL . 15.5 mtt -140.72 166.62 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 21.8 mt-10 -133.94 145.87 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 9.2 pt-20 42.87 36.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.412 HG21 ' SD ' ' A' ' 55' ' ' MET . 23.1 m -112.42 120.19 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -178.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.57 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.76 -37.52 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.16 -33.25 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.3 -50.83 50.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.454 HG21 ' HG2' ' A' ' 108' ' ' GLU . 43.6 t -61.35 -30.2 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -75.64 -33.57 60.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CH2' ' NE ' ' A' ' 70' ' ' ARG . 11.2 t90 -75.13 -25.59 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.3 -20.53 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.76 -52.39 60.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -46.45 -31.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' CH2' ' A' ' 66' ' ' TRP . 23.6 mtt-85 -77.34 -63.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mmt -47.14 -21.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.06 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.72 10.77 40.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -81.37 155.37 71.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.697 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.7 Cg_endo -69.8 154.44 67.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 136.89 34.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 -21.7 43.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.2 t -62.07 125.08 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 80' ' ' PRO . 90.2 m -78.0 138.41 61.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.595 0.712 . . . . 0.0 111.166 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.7 128.71 16.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 137.48 35.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.26 106.13 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 107' ' ' LEU . 15.3 mt -71.63 110.66 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.578 ' C ' HD11 ' A' ' 107' ' ' LEU . 39.4 mt -109.95 171.34 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -105.91 156.74 18.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tp -45.77 -25.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.8 m -58.7 -42.04 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.477 ' CG ' HD13 ' A' ' 84' ' ' LEU . 77.2 t90 -64.01 -42.1 97.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.38 -55.39 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.2 p -51.71 -27.78 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -71.92 -44.38 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m -73.79 -37.58 64.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 34' ' ' LEU . 74.9 mt -62.26 -45.82 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.9 -9.13 87.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.07 -14.29 14.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.77 -16.98 9.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -128.69 151.93 77.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.2 Cg_endo -69.8 108.34 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -70.48 151.79 95.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.73 13.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t -42.47 139.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -116.8 160.52 20.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.51 -26.2 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -82.64 -29.91 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.3 -48.52 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -42.82 135.51 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.578 HD11 ' C ' ' A' ' 84' ' ' LEU . 13.3 mt -119.26 96.79 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.454 ' HG2' HG21 ' A' ' 64' ' ' VAL . 10.1 tm-20 -152.27 154.9 36.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.596 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.9 p -117.88 169.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.596 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -174.37 109.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.24 71.41 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.83 24.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -85.24 159.13 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -135.55 119.31 17.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 69.73 161.2 2.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 179.07 3.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -135.05 139.28 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m -134.81 142.41 42.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.689 0.757 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.06 -176.86 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -111.38 136.48 50.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.2 mmm -141.66 127.86 11.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.462 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.8 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.75 -28.14 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -84.83 23.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.462 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -88.44 84.57 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 28.7 p -150.3 129.5 12.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.4 p -155.6 171.27 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -173.36 147.65 9.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 135.29 30.23 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 35.5 p -114.91 147.43 39.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.5 p -150.12 174.15 13.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -136.14 111.37 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -129.91 168.35 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.92 53.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -122.49 119.76 31.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -127.15 125.56 41.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.67 62.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -114.71 108.46 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.419 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -95.71 146.08 24.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -51.18 -46.59 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 19.6 m-85 -119.96 83.51 30.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.62 16.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.97 30.46 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -148.67 111.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.794 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.96 111.96 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.6 mt -100.89 135.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -118.4 131.52 56.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.09 136.99 36.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 22' ' ' ARG . 11.1 t -73.95 158.34 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.612 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.1 mt-10 -87.39 -68.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.74 -51.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HB2' HG11 ' A' ' 19' ' ' VAL . 36.8 mmt-85 -52.23 -52.7 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.6 tpp -78.59 -58.73 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.74 -179.8 17.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -84.82 -57.44 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ARG . 69.7 m -72.76 -55.29 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.1 tpt180 -36.59 -40.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 9.0 mtp-105 -50.31 -62.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -50.95 15.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -38.78 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.99 -45.75 90.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.6 m -37.92 -53.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.81 -41.25 56.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.04 -60.59 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.28 -58.9 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -43.72 -40.94 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -68.05 -37.01 80.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -67.04 -59.85 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.25 34.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -119.92 145.82 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -91.88 112.76 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.54 129.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD11 ' HB1' ' A' ' 15' ' ' ALA . 9.2 mt -97.1 142.84 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.05 -34.63 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.91 167.43 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.3 t -69.46 101.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.7 m -120.64 46.85 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.1 p 42.42 36.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 51' ' ' THR . 8.0 mt-10 -120.8 -35.4 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.47 104.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 49' ' ' GLU . 20.6 p -101.61 -24.1 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -138.63 118.72 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.76 132.12 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 89' ' ' LEU . 62.2 t -102.44 117.24 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.3 mtt -127.04 132.5 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -119.65 139.07 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 60.15 52.55 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.5 m -140.27 143.28 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 m -75.67 172.29 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -67.61 -43.24 80.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -48.03 28.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -43.88 -48.89 8.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.78 -51.81 36.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.19 -41.63 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -55.53 -56.8 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -56.44 -33.1 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.05 -37.58 87.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.19 -41.58 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -46.86 -42.05 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' ALA . 8.7 mmp_? -61.58 -62.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -32.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.52 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.04 27.19 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -98.68 153.08 38.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.73 26.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.389 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.64 19.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.38 20.57 74.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.38 157.0 38.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 80' ' ' PRO . 84.8 m -111.89 132.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.76 121.72 8.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.17 13.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 84' ' ' LEU . . . -92.44 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' LEU . 69.4 mt -70.67 97.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 101' ' ' VAL . 5.5 mt -109.82 170.73 7.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.81 159.64 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.702 HG13 HG23 ' A' ' 90' ' ' THR . 2.7 tp -45.82 -34.4 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -46.29 -37.31 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -70.11 -40.82 74.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 54' ' ' VAL . 41.1 tp -69.17 -57.48 5.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.702 HG23 HG13 ' A' ' 86' ' ' ILE . 32.2 p -47.93 -28.45 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -83.64 -35.19 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -71.32 -35.88 71.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.415 HD11 ' HG ' ' A' ' 89' ' ' LEU . 14.4 mt -67.64 -54.74 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.45 -12.48 39.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.12 -19.89 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.44 -13.75 32.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -131.73 152.12 79.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.534 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.58 150.29 95.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.578 0.704 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 91.95 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.283 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 84' ' ' LEU . 7.5 p -35.09 142.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -116.97 171.34 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.0 p -61.04 -20.42 62.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -79.13 -41.59 28.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -64.41 -43.07 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -52.06 159.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' LEU . 10.1 mt -120.33 127.63 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.526 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 18.5 tt0 -174.19 153.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.567 HG22 ' N ' ' A' ' 110' ' ' ALA . 12.1 p -120.05 162.75 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.567 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -169.87 128.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 112' ' ' PRO . . . 61.67 54.45 35.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.74 125.32 12.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.339 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -130.97 164.64 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -107.61 142.21 37.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.13 -152.43 17.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.49 12.55 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -109.46 168.51 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -102.54 151.77 38.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.35 -175.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -147.69 148.0 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -149.26 141.72 15.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.471 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.7 Cg_endo -69.73 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.03 -29.38 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.3 OUTLIER -88.3 27.46 1.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -80.54 93.5 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.5 t -149.77 131.27 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.3 t -159.63 125.73 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -143.51 147.51 18.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 112.35 3.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.7 m -141.47 105.58 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.4 p -41.19 -57.15 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -119.82 108.05 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -50.47 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.24 -146.68 6.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -105.97 156.46 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -53.4 153.31 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.39 -50.78 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -83.35 101.95 11.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -134.45 152.68 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -49.49 -45.98 47.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 3.4 m-85 -130.59 86.59 52.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.48 32.49 6.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -149.56 112.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.97 134.19 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.652 ' CG2' HG23 ' A' ' 54' ' ' VAL . 49.5 mt -117.65 152.38 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE2' ' O ' ' A' ' 18' ' ' LEU . 87.7 t80 -131.16 161.14 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.529 HD23 ' HB ' ' A' ' 54' ' ' VAL . 13.4 mt -133.29 148.56 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 99.6 t -97.39 132.75 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 9.7 mt-10 -68.39 -55.9 11.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -120.06 -64.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.6 mmm -71.28 -56.33 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.87 -179.36 17.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -76.36 -43.69 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -87.56 -52.02 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ARG . 21.9 tpp180 -39.32 -63.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -34.5 -56.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.81 96.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.3 t80 -47.05 -47.04 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.21 -46.39 17.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -43.62 -57.65 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.68 93.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 93' ' ' LEU . 26.1 tp -62.16 -59.4 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 93' ' ' LEU . . . -53.07 -45.5 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -50.6 -49.78 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.2 t -58.89 -30.58 67.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 26.8 mmtm -72.26 -56.74 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.28 35.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -124.4 128.76 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -82.85 108.8 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -96.55 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.46 132.96 38.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.8 -37.03 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.12 167.87 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 p -72.45 141.39 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -164.49 -177.96 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -76.29 -27.19 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.82 -34.39 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.3 p -96.33 -28.33 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -134.81 155.19 51.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.415 HG22 ' HB3' ' A' ' 17' ' ' TYR . 98.8 t -132.32 134.94 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.652 HG23 ' CG2' ' A' ' 16' ' ' ILE . 48.3 t -102.45 127.74 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 mtt -135.56 146.01 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CD ' HG21 ' A' ' 86' ' ' ILE . 7.4 mm-40 -116.24 158.17 23.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 42.73 27.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.5 HG23 ' HB3' ' A' ' 62' ' ' GLU . 14.6 m -110.7 116.47 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -70.81 165.35 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -53.36 -50.48 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.11 -30.9 71.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 58' ' ' THR . 14.2 mt-10 -64.22 -53.06 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -46.17 -54.34 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.3 t -46.67 -38.27 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -60.49 -56.31 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -60.21 -16.0 29.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.75 ' HB2' HD11 ' A' ' 83' ' ' LEU . 3.9 tp-100 -84.93 -46.34 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.6 -43.91 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -54.42 -39.24 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.96 -62.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mmt -48.12 -20.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.87 21.55 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.24 151.36 37.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 155.06 66.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.48 32.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.51 -8.63 78.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.7 t -84.18 141.94 30.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.402 HG23 ' HD2' ' A' ' 80' ' ' PRO . 78.8 m -101.75 132.49 21.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.1 Cg_endo -69.78 144.98 55.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.06 11.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.85 118.2 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 67' ' ' GLN . 51.5 mt -76.98 105.39 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 107' ' ' LEU . 11.9 mt -115.4 173.62 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -106.09 157.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.48 HG21 ' CD ' ' A' ' 56' ' ' GLU . 5.0 tp -50.28 -30.72 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.7 t -52.73 -27.45 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -75.59 -52.34 10.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.34 -57.46 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.5 p -47.38 -45.83 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.53 -32.56 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 m -78.08 -30.59 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 61.5 mt -71.94 -51.93 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.88 -14.05 60.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.52 -17.39 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.72 -10.99 28.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -132.52 151.82 78.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.76 108.3 2.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.0 151.2 88.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 116.03 4.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' PRO . 50.9 t -35.88 152.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' N ' HG12 ' A' ' 101' ' ' VAL . 48.1 mm-40 -125.43 175.95 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 t -66.83 -32.8 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -75.24 -24.6 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -74.99 -53.78 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 mtp-105 -41.39 120.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 84' ' ' LEU . 45.1 mt -97.82 69.62 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.493 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 26.2 tt0 -127.77 151.03 49.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.581 HG22 ' N ' ' A' ' 110' ' ' ALA . 8.7 p -122.01 168.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.581 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -175.1 127.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.93 63.85 4.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.48 17.63 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.358 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.39 168.65 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -169.37 148.91 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 63.59 131.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 176.93 6.15 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 117' ' ' LEU . 1.7 pp -143.38 153.49 42.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.5 m -153.52 146.45 17.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.44 2.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.72 174.27 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -112.73 140.07 47.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -142.85 140.63 18.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.44 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 54.3 Cg_endo -69.74 -179.55 2.98 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.2 -22.44 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -83.05 0.91 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.44 ' HB3' ' HG2' ' A' ' 123' ' ' PRO . . . -131.5 87.84 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.3 t -112.55 136.84 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.4 t -60.99 -31.54 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 65.96 146.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.76 6.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t -82.0 79.78 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.8 p 43.82 41.14 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 66.3 p -36.72 134.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 p -75.74 163.08 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.31 -179.87 47.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -98.96 122.77 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.9 t -43.55 -60.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.34 85.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -121.77 117.09 25.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 t -39.33 147.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -52.05 -46.21 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.479 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 26.4 m-85 -118.49 82.49 19.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.96 24.93 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.7 27.66 19.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.4 t -142.11 114.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -115.74 128.07 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 52' ' ' HIS . 24.5 mt -117.91 137.53 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -121.25 128.4 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' CB ' ' HG3' ' A' ' 28' ' ' ARG . 30.0 mt -93.09 140.08 29.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 22' ' ' ARG . 65.1 t -85.43 98.53 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 23.5 mt-10 -34.19 -58.8 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' HB2' HG11 ' A' ' 19' ' ' VAL . 66.9 mmt-85 -28.61 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.571 ' HE2' ' O ' ' A' ' 54' ' ' VAL . 11.6 tpp -77.73 -60.49 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.2 168.01 11.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -79.67 -49.89 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' ARG . 73.6 m -87.22 -57.6 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -36.33 -39.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HG3' ' CB ' ' A' ' 18' ' ' LEU . 28.7 ttp180 -57.3 -56.43 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.17 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -40.35 -50.22 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.7 mt -71.29 -49.16 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 93.3 m -34.04 -59.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.46 -44.18 84.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.578 HD23 HD13 ' A' ' 93' ' ' LEU . 18.6 tp -52.5 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -55.06 12.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -46.5 -46.92 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -60.18 -35.69 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -69.67 -58.71 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.6 34.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.51 134.8 55.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.75 115.43 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG11 HG23 ' A' ' 32' ' ' THR . 70.4 t -93.93 120.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.492 HD11 ' HB1' ' A' ' 15' ' ' ALA . 58.6 mt -76.08 134.93 39.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.29 -48.82 63.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.63 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.44 141.97 58.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 p -172.27 168.07 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -55.67 -33.29 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' THR . 4.0 mm-40 -45.25 -48.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.11 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 49' ' ' GLU . 63.2 p -105.15 -33.92 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' O ' HG23 ' A' ' 16' ' ' ILE . 62.0 m80 -132.35 101.39 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.1 t -85.44 138.42 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.571 ' O ' ' HE2' ' A' ' 23' ' ' MET . 89.5 t -109.57 141.49 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.497 ' CE ' ' CE3' ' A' ' 66' ' ' TRP . 51.8 mtt -139.4 140.25 37.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -117.08 131.31 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.01 42.67 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.4 m -115.61 140.22 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -77.06 154.78 33.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.52 73.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.55 -41.18 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.65 -55.23 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.559 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -45.21 -51.34 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 42.2 t -60.67 -28.39 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -83.3 -30.84 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.497 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 54.8 t90 -78.12 -19.5 53.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.4 pt20 -87.52 -32.65 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.9 mm-40 -55.74 -50.9 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' GLU . 83.3 mmt-85 -34.5 -43.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' ALA . 23.7 mtp180 -71.77 -61.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.7 mmm -45.93 -29.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.05 -55.46 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.72 32.2 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -79.67 157.37 74.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.689 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.8 Cg_endo -69.78 162.36 42.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.5 9.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.08 58.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -56.34 158.23 4.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 80' ' ' PRO . 98.0 m -123.13 136.02 26.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.81 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.68 176.53 6.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.81 109.28 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.559 HD13 ' HB1' ' A' ' 63' ' ' ALA . 22.5 mt -70.61 106.96 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' ' 88' ' ' TRP . 27.9 mt -113.12 166.32 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -106.22 156.76 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 87' ' ' SER . 8.5 tp -42.66 -42.72 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 86' ' ' ILE . 14.5 m -44.63 -41.05 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.5 ' CD1' HD13 ' A' ' 84' ' ' LEU . 62.8 t90 -61.47 -52.02 66.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' SER . 47.2 tp -55.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 93' ' ' LEU . 29.2 p -37.97 -50.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -59.0 -39.81 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 16.5 m -67.17 -38.41 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.578 HD13 HD23 ' A' ' 34' ' ' LEU . 16.6 mt -66.62 -51.82 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.39 -10.51 48.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.501 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.37 -16.9 14.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.98 -14.63 19.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 27.6 pt20 -129.95 151.21 77.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.479 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.8 Cg_endo -69.75 108.35 2.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.2 m -71.04 148.55 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 84.2 t -34.94 135.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -103.25 171.83 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 p -63.77 -34.39 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -77.05 -38.12 53.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ARG . 46.3 m170 -54.53 -56.39 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' HIS . 75.3 mtt180 -35.86 126.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -109.24 94.1 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 6.8 tt0 -150.5 153.37 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 110' ' ' ALA . 6.7 p -116.47 171.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.635 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 136.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 47.81 66.26 2.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.36 12.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -126.57 148.14 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.89 149.89 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.4 167.56 25.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 172.03 13.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.517 HD12 ' C ' ' A' ' 117' ' ' LEU . 4.0 pp -130.8 154.5 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m -84.62 144.04 42.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.736 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -46.62 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -172.86 -177.82 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -135.84 147.39 48.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -155.9 142.15 13.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.65 4.33 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.86 -38.37 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.5 OUTLIER -83.88 35.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.14 47.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 65.2 m -149.14 147.84 28.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.6 p -159.79 173.33 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.2 146.2 5.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 t 49.93 35.94 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 75.7 p -83.48 168.78 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -79.18 84.82 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -108.82 149.32 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 -97.92 1.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -159.68 159.14 32.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -126.89 113.94 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.64 -49.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -72.0 145.11 48.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -77.77 147.91 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -46.07 -37.06 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.5 m-85 -124.73 84.91 57.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.694 0.759 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 53.7 Cg_endo -69.74 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.93 14.26 31.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.07 134.3 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.86 110.3 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 40' ' ' PHE . 19.9 mt -99.56 142.19 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -120.99 129.19 53.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.82 125.54 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 20' ' ' GLU . 14.6 t -59.19 168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 12.9 mt-10 -96.33 -70.61 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 -53.25 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HB2' HG11 ' A' ' 19' ' ' VAL . 33.4 mmt-85 -38.53 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.483 ' HE1' ' H ' ' A' ' 19' ' ' VAL . 2.9 mpp? -111.71 -73.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.93 -171.46 27.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 22.9 mtm105 -79.47 -59.3 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ARG . 29.2 t -69.17 -63.1 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 21.7 ttm180 -37.8 -31.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 15.1 ttm180 -69.55 -60.81 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.0 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -41.2 -57.37 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.25 -51.55 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.759 HG23 HG11 ' A' ' 42' ' ' VAL . 92.4 m -37.68 -49.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.6 -48.55 10.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.717 HD23 HD13 ' A' ' 93' ' ' LEU . 16.4 tp -49.1 -55.79 11.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.24 -62.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.598 ' HG3' HG23 ' A' ' 42' ' ' VAL . 10.8 mtp85 -45.02 -36.56 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -69.76 -37.6 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HG3' HD23 ' A' ' 93' ' ' LEU . 35.5 mmtt -71.28 -57.55 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.33 33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.613 ' HB3' HD12 ' A' ' 16' ' ' ILE . 3.5 m-85 -129.52 118.18 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 12' ' ' PRO . 6.1 ptp180 -66.82 139.55 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.759 HG11 HG23 ' A' ' 32' ' ' THR . 48.5 t -110.89 119.14 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD13 ' OG ' ' A' ' 47' ' ' SER . 63.2 mt -77.8 137.71 38.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.68 -50.21 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.11 170.76 10.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 m -59.56 114.62 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.479 ' OG ' HD13 ' A' ' 43' ' ' LEU . 80.9 p -134.53 151.21 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 p -50.86 -32.13 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.715 ' O ' HG23 ' A' ' 51' ' ' THR . 3.8 mm-40 -50.29 -42.73 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.03 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 49' ' ' GLU . 41.4 p -103.73 -33.07 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -137.01 129.81 30.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.76 152.21 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.99 139.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.1 mtt -144.91 118.28 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HG3' HG21 ' A' ' 86' ' ' ILE . 25.3 tt0 -96.74 143.33 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 52.37 46.53 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.7 m -129.52 150.55 50.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.9 t -88.8 157.98 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.67 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.2 pt-20 -69.01 -41.2 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.4 tp10 -53.37 -50.04 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.43 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.1 t -48.66 -38.13 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -47.76 76.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.494 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t90 -63.75 -22.4 66.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 81' ' ' PRO . 3.9 tp-100 -82.37 -54.17 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -41.03 -44.95 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -46.6 -40.79 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 12.6 mtp-105 -72.85 -52.25 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.32 -35.14 36.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.19 8.05 23.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -86.29 145.55 40.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 162.63 41.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.396 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.63 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.57 -36.69 3.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.46 125.88 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 80' ' ' PRO . 61.7 m -84.49 137.26 39.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.6 Cg_endo -69.8 132.61 23.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HG2' ' NE2' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 156.29 63.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.48 124.98 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.3 mt -87.52 98.16 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.503 ' O ' HD11 ' A' ' 107' ' ' LEU . 46.1 mt -100.5 171.17 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.54 ' HB3' HD21 ' A' ' 107' ' ' LEU . 7.1 p30 -106.35 162.37 13.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.714 HG21 ' HG3' ' A' ' 56' ' ' GLU . 8.0 tp -51.9 -27.03 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -59.29 -33.91 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.435 ' CG ' HD13 ' A' ' 84' ' ' LEU . 83.8 t90 -69.02 -54.16 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.05 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -39.11 -58.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -50.55 -45.48 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' GLY . 33.3 m -59.8 -56.06 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.717 HD13 HD23 ' A' ' 34' ' ' LEU . 12.9 mt -51.42 -44.81 62.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -16.69 74.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 -13.5 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . . . 77.79 -12.9 14.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -130.7 151.59 79.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.79 108.25 2.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.8 m -71.01 151.24 94.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.7 Cg_endo -69.78 114.84 3.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' PRO . 79.8 t -34.48 143.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.13 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.21 -37.89 88.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -73.14 -37.3 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -57.92 -57.19 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -42.31 117.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 85' ' ' ASP . 9.6 mt -98.43 98.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -151.52 156.45 40.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.593 HG22 ' N ' ' A' ' 110' ' ' ALA . 10.0 p -126.61 167.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.593 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -173.07 109.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.84 67.02 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.81 7.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -81.87 166.2 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -129.71 23.0 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.38 88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 175.4 8.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 118' ' ' SER . 1.2 pp -120.15 157.99 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.495 ' N ' HD12 ' A' ' 117' ' ' LEU . 84.7 p -114.94 141.95 27.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.741 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.35 3.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -166.71 171.76 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -93.9 137.67 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -141.62 138.8 17.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.56 14.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.64 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 126' ' ' ALA . 5.9 p90 -71.59 -55.22 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' TYR . . . 36.75 40.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 30.9 p -136.38 139.12 42.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -112.33 122.63 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.32 147.8 7.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.9 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.346 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.2 p -162.91 130.62 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.9 m -140.06 148.47 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -104.64 176.98 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -115.21 95.53 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.63 51.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -98.13 103.63 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -147.23 130.21 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.6 178.69 42.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -153.79 109.76 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -161.19 137.26 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -48.66 -46.09 39.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.603 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 37.8 m-85 -118.97 84.34 25.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.9 26.47 19.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -142.9 124.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -122.79 116.21 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.6 mt -107.56 137.29 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CD2' ' NH2' ' A' ' 70' ' ' ARG . 45.5 t80 -115.65 126.91 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.7 mt -100.84 127.57 47.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 22' ' ' ARG . 4.6 t -75.22 157.87 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mm-40 -87.97 -69.1 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.73 -51.75 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' HB2' HG11 ' A' ' 19' ' ' VAL . 36.6 mmt-85 -51.7 -56.05 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.1 ttm -77.79 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.46 155.58 7.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 26' ' ' SER . 35.5 ptt180 -73.79 -43.28 59.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 39.4 m -87.02 -48.53 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -46.42 -55.2 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ARG . 4.2 tmt_? -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.37 66.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -41.41 -60.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 89' ' ' LEU . 65.9 mt -65.28 -46.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 98.8 m -35.33 -55.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.48 -41.88 57.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.616 HD23 HD13 ' A' ' 93' ' ' LEU . 35.0 tp -52.66 -54.04 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.9 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -38.44 -39.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -66.64 -44.76 81.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' ALA . 36.0 mmtt -65.89 -50.59 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 35.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.724 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 21.3 m-85 -126.79 127.05 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -79.44 113.6 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.4 133.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 15' ' ' ALA . 33.6 mt -86.44 142.41 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.48 -57.33 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.05 160.1 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -48.16 115.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -142.77 153.7 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -45.87 -43.55 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.613 ' O ' HG23 ' A' ' 51' ' ' THR . 29.2 mm-40 -39.24 -44.62 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.92 118.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 49' ' ' GLU . 17.2 p -121.8 -27.84 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB3' HD12 ' A' ' 84' ' ' LEU . 22.3 m80 -137.67 116.0 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.57 125.44 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 89' ' ' LEU . 98.0 t -100.19 123.29 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.8 mtt -127.29 129.89 48.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -99.69 143.3 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 46.0 50.34 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -125.16 146.21 49.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 m -86.83 152.4 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.47 -46.79 48.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.9 -44.52 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.88 -50.48 60.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.9 -60.12 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.7 t -47.89 -44.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -53.25 -57.89 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -52.11 -38.24 56.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -61.17 -41.8 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -45.29 -48.88 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.2 mmt180 -43.91 -55.14 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' NH2' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mtt180 -54.44 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 mmt -44.47 -23.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -77.55 -39.39 46.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.56 19.8 18.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.91 152.71 38.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.45 56.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 150.49 68.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.31 -40.89 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -50.42 125.43 12.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' HD2' ' A' ' 80' ' ' PRO . 91.1 m -88.99 132.79 36.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 0.0 111.077 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.2 Cg_endo -69.73 146.28 59.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.47 56.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.42 115.64 17.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.1 98.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' A' ' 52' ' ' HIS . 48.5 mt -99.02 172.71 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.422 ' HB3' HD21 ' A' ' 107' ' ' LEU . 50.0 p30 -105.58 150.36 25.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.68 HD13 HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -45.48 -44.58 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.505 ' N ' HG23 ' A' ' 86' ' ' ILE . 32.8 t -42.93 -46.52 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.497 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 62.9 t90 -56.99 -36.71 70.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 31' ' ' LEU . 20.4 tp -65.34 -55.22 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.68 HG23 HD13 ' A' ' 86' ' ' ILE . 43.0 p -56.95 -15.65 5.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.16 -35.75 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.6 m -75.46 -42.52 52.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 HD23 ' A' ' 34' ' ' LEU . 9.7 mt -60.28 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.72 -15.98 67.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.72 -11.95 31.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -136.74 152.07 73.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.603 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.79 108.31 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 m -67.55 151.95 96.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.1 t -41.43 134.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -102.11 177.18 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.51 -19.75 60.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -92.68 -25.99 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 36.7 m170 -69.13 -37.85 78.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -57.0 106.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 85' ' ' ASP . 37.7 mt -89.49 109.97 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -164.74 155.19 14.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.62 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.3 p -126.02 170.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.62 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 109.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.87 63.83 2.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 120.16 7.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -71.56 136.99 47.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.68 22.77 15.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 148.57 -98.29 0.19 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.89 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.87 75.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m -156.73 126.29 3.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -50.3 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.56 176.73 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -106.82 137.37 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.8 mmt -135.5 134.83 21.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.671 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 175.2 8.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.74 -41.99 64.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 44.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.56 86.33 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.49 143.56 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.1 t -41.53 136.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 135.9 70.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.56 12.43 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -169.08 144.94 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.7 p -140.36 174.5 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -49.76 165.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 m -111.27 -66.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.55 -144.12 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -145.59 157.18 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.825 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -127.85 102.82 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.86 -165.54 40.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -102.17 97.81 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.935 0.398 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -171.07 151.07 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 8.5 mmt180 -45.71 -47.49 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 53.5 m-85 -134.77 89.09 26.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 2.97 3.02 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.61 0.45 32.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -125.79 121.18 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.77 120.27 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 143.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 11.8 t80 -121.79 136.34 54.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 mt -105.92 123.84 48.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 47.7 t -77.77 117.72 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 3.4 mm-40 -44.32 -60.27 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.77 166.43 27.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? 40.97 48.92 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.3 tpp -130.43 -59.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.54 176.68 18.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -77.32 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ARG . 69.4 m -94.97 -41.19 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' SER . 37.5 mtt180 -36.79 -40.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -52.0 -57.29 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.36 -50.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -40.2 -48.17 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.403 HD22 HD23 ' A' ' 89' ' ' LEU . 23.0 mt -71.22 -47.45 57.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.566 HG23 HG11 ' A' ' 42' ' ' VAL . 90.1 m -44.32 -53.53 6.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.32 -44.71 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD23 HD13 ' A' ' 93' ' ' LEU . 14.3 tp -50.84 -60.81 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -43.6 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.48 -49.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -59.15 -41.21 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.64 ' HG3' HD23 ' A' ' 93' ' ' LEU . 35.1 mmtm -64.88 -49.79 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 143.24 33.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.416 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 20.5 m-85 -123.78 135.77 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -81.95 109.45 16.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG11 HG23 ' A' ' 32' ' ' THR . 73.4 t -92.56 130.19 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.17 146.05 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.3 -46.68 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . . . -133.23 -71.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -165.54 150.9 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 49' ' ' GLU . 2.0 m -174.06 153.8 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -44.05 -22.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 51' ' ' THR . 24.7 mm-40 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 49' ' ' GLU . 70.3 p -93.02 -20.97 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 14.8 m80 -152.76 135.46 15.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 81' ' ' PRO . 89.2 t -112.91 126.06 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 89' ' ' LEU . 76.2 t -96.84 129.75 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.6 mtt -128.41 122.16 30.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' GLU . 17.1 mt-10 -91.53 155.37 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' GLU . 18.8 mm-40 35.92 37.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.4 m -112.65 140.06 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -75.75 179.53 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -76.17 -43.05 44.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.13 -42.45 80.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -49.81 -57.58 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.29 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 6.2 p -45.47 -39.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -69.48 -21.1 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.931 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.1 tt0 -68.95 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.77 -36.38 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -53.53 -34.94 60.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -60.43 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.5 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 5.8 mmt -49.47 -30.92 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.79 10.99 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 71' ' ' MET . . . -94.6 146.02 30.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 166.05 28.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.25 69.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.39 -41.48 2.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.26 126.35 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.682 HG23 ' HD2' ' A' ' 80' ' ' PRO . 92.0 m -84.24 139.11 39.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 111.163 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.5 Cg_endo -69.83 145.53 57.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.5 Cg_endo -69.71 160.31 50.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . . . -91.63 106.32 18.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.931 HD11 ' HB2' ' A' ' 67' ' ' GLN . 51.0 mt -67.27 115.39 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.684 HD22 HG21 ' A' ' 101' ' ' VAL . 15.8 mt -123.73 173.58 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -105.65 154.43 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.39 -47.85 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 86' ' ' ILE . 5.9 t -40.28 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -58.22 -42.05 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 54' ' ' VAL . 15.0 tp -59.45 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.806 ' HA ' HD12 ' A' ' 93' ' ' LEU . 68.1 p -47.74 -38.53 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.64 -40.05 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.1 m -71.22 -40.41 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 90' ' ' THR . 6.7 mt -61.71 -54.73 38.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.62 -16.18 49.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.11 -15.87 18.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.95 -9.6 30.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -135.36 151.81 75.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.85 108.35 2.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.59 151.92 96.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.684 HG21 HD22 ' A' ' 84' ' ' LEU . 1.9 p -38.55 143.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.87 176.37 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -61.88 -35.97 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -67.78 -19.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -83.52 -50.94 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -42.8 159.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -129.45 102.95 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.442 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 45.9 tt0 -151.31 161.13 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 110' ' ' ALA . 3.9 p -128.98 170.86 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.617 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 134.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.63 73.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 113' ' ' ARG . 53.8 Cg_endo -69.75 138.05 36.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 112' ' ' PRO . 11.5 ptp180 33.39 42.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -142.85 159.2 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.98 64.96 0.58 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.84 3.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.353 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -111.44 143.61 41.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 m -120.81 79.14 31.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.702 0.763 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.56 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.728 2.286 . . . . 0.0 112.305 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.06 128.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -101.22 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 70.4 mtp -115.76 140.35 25.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.458 ' HB2' ' CD1' ' A' ' 125' ' ' TYR . 54.1 Cg_endo -69.77 163.35 38.59 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.81 -38.89 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.458 ' CD1' ' HB2' ' A' ' 123' ' ' PRO . 8.4 p90 -54.14 -43.34 70.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 125' ' ' TYR . . . -39.22 126.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 32.0 p -141.99 158.98 43.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 128.67 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.37 84.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 133.21 25.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -75.01 162.18 28.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.2 p -151.5 149.44 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -110.04 -60.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -100.04 95.02 6.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.65 152.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -131.03 -44.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -126.82 148.97 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.29 120.33 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 p -121.35 126.4 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.407 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -168.74 140.1 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -44.77 -53.17 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.6 m-85 -122.03 89.85 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -45.28 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.15 -37.0 45.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 52' ' ' HIS . 85.5 t -82.47 105.66 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -112.67 122.69 48.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.6 mt -108.2 135.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -114.55 123.02 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.51 119.94 28.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 79.2 t -70.58 107.27 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 21.7 mt-10 -39.46 -60.11 1.38 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.0 Cg_endo -69.74 147.46 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 55.99 51.09 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 tpp -131.92 -43.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.09 177.76 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.12 -64.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' ARG . 75.1 m -87.11 -47.77 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' SER . 18.5 tpp180 -34.55 -56.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -41.95 -55.43 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.62 -51.9 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 14.6 t80 -39.27 -41.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.32 -49.42 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -39.51 -55.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.31 -45.14 56.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD23 HD13 ' A' ' 93' ' ' LEU . 12.6 tp -53.4 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.5 -62.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HG3' HG23 ' A' ' 42' ' ' VAL . 20.3 mtp180 -41.17 -45.15 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -63.42 -42.46 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HG3' HD23 ' A' ' 93' ' ' LEU . 49.9 mmtt -62.64 -48.21 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.08 31.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 10.1 m-85 -121.59 123.71 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -72.35 117.41 13.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' HG3' ' A' ' 36' ' ' ARG . 95.3 t -89.12 122.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 HD11 ' HB1' ' A' ' 15' ' ' ALA . 27.5 mt -86.5 135.1 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.54 -62.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.77 -74.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -171.36 119.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 m -125.38 37.14 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 t 48.77 29.48 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.637 ' O ' HG23 ' A' ' 51' ' ' THR . 11.6 mt-10 -114.9 -29.94 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.63 120.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' GLU . 19.3 p -126.47 -29.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' HG13 ' A' ' 14' ' ' VAL . 4.5 m80 -132.41 112.15 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -93.95 133.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.562 HG13 ' HA ' ' A' ' 86' ' ' ILE . 46.8 t -104.11 131.86 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.846 ' SD ' HG21 ' A' ' 58' ' ' THR . 22.3 mtt -134.36 144.07 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLU . 18.6 mt-10 -109.83 144.12 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . 7.1 pt-20 34.32 39.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.846 HG21 ' SD ' ' A' ' 55' ' ' MET . 52.7 m -104.16 137.5 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -69.87 170.53 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -69.32 -38.73 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.0 -41.19 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.58 -33.71 23.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.78 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 10.1 p -49.18 -29.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 t -82.04 -37.12 26.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.37 -25.1 64.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -79.32 -28.73 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 5.5 mm-40 -53.43 -42.44 67.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -49.88 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.8 mtp180 -58.78 -62.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.7 mmt -41.01 -32.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.6 -52.67 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.79 30.23 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -99.83 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.548 0.689 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.44 63.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 125.84 12.58 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.34 -35.93 4.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.69 133.59 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 80' ' ' PRO . 52.8 m -91.84 137.77 25.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.83 115.08 3.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 142.43 47.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.31 110.21 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 115.26 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.621 ' O ' HD11 ' A' ' 107' ' ' LEU . 27.9 mt -115.55 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -105.78 150.19 25.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.562 ' HA ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -44.04 -42.86 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 86' ' ' ILE . 11.0 t -41.05 -44.22 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.417 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 76.2 t90 -55.77 -54.27 46.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.0 tp -47.31 -64.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.497 HG23 HD13 ' A' ' 86' ' ' ILE . 78.4 p -44.82 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -63.22 -40.72 98.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 m -65.63 -52.41 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.689 HD13 HD23 ' A' ' 34' ' ' LEU . 12.8 mt -54.52 -53.28 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.23 -16.21 33.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.92 -13.08 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.81 17.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.58 152.46 77.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.82 108.89 2.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 m -73.08 152.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.64 19.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 84' ' ' LEU . 60.3 t -56.05 146.52 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 105' ' ' HIS . 11.7 pt-20 -127.46 173.91 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.58 -51.32 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -56.44 -40.61 75.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 102' ' ' GLU . 32.9 m170 -58.31 -51.5 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -48.03 151.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.621 HD11 ' O ' ' A' ' 84' ' ' LEU . 4.9 mt -133.75 111.74 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.465 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 6.3 tt0 -160.31 164.5 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.574 HG22 ' H ' ' A' ' 110' ' ' ALA . 6.0 p -134.88 168.52 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.574 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 137.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.92 64.95 3.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.66 8.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtm-85 -124.15 158.56 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -106.76 22.78 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 140.86 84.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.45 10.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.232 . . . . 0.0 112.382 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 117' ' ' LEU . 1.7 pp -137.12 128.69 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.3 p -127.31 142.84 45.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.678 0.751 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -50.12 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.97 170.25 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -101.57 149.33 24.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.474 ' HB3' ' CB ' ' A' ' 126' ' ' ALA . 21.7 mtp -156.77 128.85 4.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.434 ' HB2' ' CE1' ' A' ' 125' ' ' TYR . 53.8 Cg_endo -69.75 164.56 34.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.84 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 123' ' ' PRO . 27.7 p90 -83.07 41.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 122' ' ' MET . . . -117.36 99.71 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 34.7 m -109.96 91.33 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.8 t -166.34 144.08 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.46 132.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 168.76 20.54 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.3 p -154.15 151.86 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.2 t -89.25 -59.7 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -62.93 120.52 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -154.99 148.73 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.94 -165.45 9.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -174.84 172.88 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -124.7 134.95 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 67.89 79.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.1 m -34.53 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -124.15 153.12 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -73.35 -42.21 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.588 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.7 m-85 -117.39 83.04 15.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.79 28.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.91 29.98 5.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.72 HG13 ' CE1' ' A' ' 52' ' ' HIS . 97.2 t -149.87 117.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.33 117.29 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -102.8 139.7 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -119.56 145.28 46.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.71 HD23 ' HB ' ' A' ' 54' ' ' VAL . 6.0 mt -123.55 128.98 50.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.967 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 23' ' ' MET . 47.5 t -56.02 151.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.59 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.8 mp0 -84.81 -67.54 0.18 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.8 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.691 ' NH1' HG21 ' A' ' 58' ' ' THR . 4.1 ttm180 -25.72 -67.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.468 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 27.9 tpp -56.2 -47.27 78.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' PRO . . . 129.0 152.77 7.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -86.77 -55.05 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 p -74.84 -46.13 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -55.98 -39.73 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -50.39 -52.99 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.97 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -41.16 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD22 HD23 ' A' ' 89' ' ' LEU . 21.7 mt -64.23 -48.8 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.505 ' CG2' ' NH2' ' A' ' 36' ' ' ARG . 79.3 m -36.8 -61.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.41 98.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD23 HD13 ' A' ' 93' ' ' LEU . 19.8 tp -54.3 -55.26 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.01 -52.66 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.505 ' NH2' ' CG2' ' A' ' 32' ' ' THR . 77.6 mtt180 -45.36 -40.25 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -67.56 -42.14 83.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HG3' HD23 ' A' ' 93' ' ' LEU . 68.3 mmtt -64.3 -44.41 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.57 30.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 62.2 m-85 -109.42 128.16 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -78.92 109.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 t -95.86 135.6 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -94.81 144.83 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.53 -47.61 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.48 168.71 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -77.11 115.69 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -142.25 163.84 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.0 p -49.88 -42.02 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.0 -39.39 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.18 105.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -94.22 -29.86 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.72 ' CE1' HG13 ' A' ' 14' ' ' VAL . 1.9 m80 -134.54 156.55 48.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 126.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.71 ' HB ' HD23 ' A' ' 18' ' ' LEU . 35.1 t -95.81 134.94 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.3 mtt -142.37 142.03 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.43 156.41 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 39.69 47.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.691 HG21 ' NH1' ' A' ' 22' ' ' ARG . 86.1 m -126.54 135.31 51.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.5 p -76.01 163.42 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -63.26 -37.0 85.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.12 -42.42 60.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.37 -60.77 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.712 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -41.85 -58.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 46.2 t -50.37 -29.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -76.15 -35.92 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -72.89 -27.2 61.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' HB3' HD11 ' A' ' 83' ' ' LEU . 4.5 pt20 -84.99 -24.3 28.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.13 -53.12 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -39.88 -42.31 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.5 mtp85 -67.82 -60.41 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.9 mmm -44.25 -33.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -55.16 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.49 27.19 9.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -75.03 154.33 86.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 162.69 41.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 126.47 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.02 11.97 66.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.1 t -73.9 157.44 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 80' ' ' PRO . 95.9 m -117.36 139.06 25.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.8 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 155.08 66.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.62 109.12 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.712 HD13 ' HB1' ' A' ' 63' ' ' ALA . 14.7 mt -74.85 99.09 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 88' ' ' TRP . 39.1 mt -97.22 167.04 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -105.98 157.1 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 tp -44.42 -33.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -51.88 -41.5 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.412 ' CD2' HD13 ' A' ' 84' ' ' LEU . 69.7 t90 -64.39 -50.95 65.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.477 HD23 HD22 ' A' ' 31' ' ' LEU . 20.4 tp -52.54 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 p -46.33 -44.7 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.87 -31.84 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -77.29 -47.35 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.536 HD23 ' HG3' ' A' ' 38' ' ' LYS . 19.1 mt -59.47 -47.02 87.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.24 -14.57 68.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.2 -14.52 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.6 -10.4 17.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 21.4 pt20 -132.65 152.25 79.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.588 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.81 108.6 2.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.3 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.16 152.66 92.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.16 9.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -47.12 146.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 5.0 pt-20 -131.16 178.05 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 m -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -47.08 -41.94 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.478 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 56.0 m170 -60.45 -49.83 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -50.07 120.37 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.37 75.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.606 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 16.2 tt0 -130.91 158.81 39.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.61 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.3 p -120.83 170.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.61 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.14 124.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.32 67.04 2.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.6 14.81 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -126.68 136.44 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -96.39 160.52 14.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.89 -151.31 51.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 177.47 5.52 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.499 HD12 ' C ' ' A' ' 117' ' ' LEU . 1.7 pp -134.67 152.14 51.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.1 p -138.56 143.9 40.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -173.92 -175.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -121.01 137.3 54.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mmm -139.05 133.57 16.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -173.86 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.55 -28.39 11.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 1.7 p90 -90.01 35.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.51 89.04 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.8 p -173.15 136.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.9 p -142.7 175.91 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.93 83.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 166.37 27.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.372 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.8 t -157.75 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 t -155.15 177.66 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -120.71 116.31 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 47.2 43.19 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.33 64.77 3.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -59.99 147.64 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -81.35 -47.95 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 -72.08 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.6 p -161.59 146.47 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -39.82 160.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -57.85 -39.89 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 9.4 m-85 -131.71 81.37 63.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.83 27.29 19.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.3 t -148.1 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.99 113.91 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' A' ' 40' ' ' PHE . 4.0 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -127.07 124.72 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.01 121.66 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 20' ' ' GLU . 89.9 t -71.01 94.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.2 mt-10 -33.49 -60.17 0.44 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.75 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 74.65 36.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.5 tpp -123.71 -54.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.04 154.1 7.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -72.83 -57.19 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -96.28 -11.07 26.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -70.04 -37.67 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -56.75 -54.48 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.7 t80 -40.86 -40.97 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -89.7 -45.99 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.441 HG23 HG11 ' A' ' 42' ' ' VAL . 98.2 m -38.1 -66.26 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.66 81.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.0 -60.8 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.27 -47.39 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -45.31 -52.01 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -59.31 -32.21 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.616 ' HG3' HD23 ' A' ' 93' ' ' LEU . 55.1 mmtt -72.99 -49.15 30.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.62 32.83 0.15 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.658 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 35.3 m-85 -119.47 116.29 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -71.27 110.77 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.441 HG11 HG23 ' A' ' 32' ' ' THR . 39.4 t -90.92 127.27 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -81.43 129.35 34.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.65 -48.77 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.49 174.66 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.38 108.05 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -128.38 168.43 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -60.62 -36.06 77.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.74 ' O ' HG23 ' A' ' 51' ' ' THR . 39.4 mt-10 -44.41 -37.1 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.77 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 49' ' ' GLU . 38.5 p -108.13 -29.43 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -136.53 113.66 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.44 HG11 ' CZ3' ' A' ' 66' ' ' TRP . 12.2 t -94.06 130.38 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.36 128.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.423 ' SD ' HG21 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -123.96 148.08 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.88 145.46 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 42.44 41.29 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 59' ' ' SER . 25.1 m -115.26 158.16 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 58' ' ' THR . 17.6 m -92.13 165.67 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.3 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.69 -44.87 63.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -49.33 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.31 -55.37 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 60.6 t -48.68 -39.26 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -58.53 -57.16 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.48 ' CZ2' ' HD2' ' A' ' 70' ' ' ARG . 52.9 t90 -53.25 -31.25 42.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 83' ' ' LEU . 6.9 tp-100 -71.5 -39.21 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.48 -40.5 96.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.88 -29.64 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 4.6 mtp-105 -82.38 -61.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmt -40.13 -31.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.21 -45.43 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -101.44 21.86 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.62 146.81 33.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 160.72 48.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.28 37.41 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.63 -28.93 9.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.84 155.32 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -116.98 130.46 24.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 113.64 3.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.56 126.31 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 67' ' ' GLN . 56.9 mt -78.8 101.36 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -118.26 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 42.2 p30 -106.16 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.02 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -52.9 -29.18 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -72.53 -48.37 40.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.09 -56.12 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.473 ' HA ' HD12 ' A' ' 93' ' ' LEU . 5.2 p -43.39 -34.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.18 -45.92 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 m -60.84 -29.49 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD23 ' HG3' ' A' ' 38' ' ' LYS . 19.1 mt -73.59 -50.96 18.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.35 -10.35 59.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.75 -16.7 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.17 47.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -136.72 151.5 72.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.426 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.6 Cg_endo -69.7 108.33 2.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.381 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.58 151.66 91.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 130.59 19.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 102' ' ' GLU . 78.1 t -37.94 154.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 105' ' ' HIS . 72.0 mt-10 -135.77 158.91 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 67.0 m -50.79 -31.46 16.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -75.73 -43.32 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 102' ' ' GLU . 13.8 m170 -60.36 -49.12 78.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -43.78 123.77 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.89 67.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -123.94 165.24 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.621 HG22 ' H ' ' A' ' 110' ' ' ALA . 7.5 p -134.37 170.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.621 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.08 113.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.94 64.82 2.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 143.04 49.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -71.66 114.81 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 30.0 tptt -143.67 154.92 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 92.83 -168.06 30.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 172.04 13.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.746 ' H ' HD23 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -110.7 146.44 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -122.2 77.21 42.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 90.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.23 108.8 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -106.34 175.88 5.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -120.6 140.71 30.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -174.26 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.25 -1.9 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -115.59 45.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -120.75 38.15 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -97.1 96.72 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.6 m -83.64 154.41 23.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 146.56 154.57 6.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 121.43 8.11 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 83.8 p -104.31 157.65 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.0 t -141.75 173.3 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -97.62 88.61 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -158.72 153.12 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.58 44.26 3.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -117.72 125.28 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -173.27 130.35 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.54 -76.58 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 t -52.85 141.11 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -54.92 156.84 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.57 -43.32 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 11.5 m-85 -127.45 87.05 57.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.84 5.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.13 51.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.59 HG13 ' CE1' ' A' ' 52' ' ' HIS . 98.1 t -95.73 110.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.76 113.03 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 40' ' ' PHE . 19.5 mt -100.69 135.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 4.0 t80 -127.86 129.57 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -95.38 165.51 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 20' ' ' GLU . 10.6 t -93.16 169.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.6 mm-40 -96.03 -70.55 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.664 0.745 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.73 -54.13 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 1.6 mmp_? -35.19 -53.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.446 ' HE1' ' H ' ' A' ' 19' ' ' VAL . 3.2 mpp? -99.06 -69.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.06 133.66 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -46.7 -49.56 19.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.84 -53.88 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -44.96 -38.9 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' HD13 ' A' ' 18' ' ' LEU . 5.1 mmp_? -60.99 -66.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ARG . . . -35.95 -38.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -54.53 -54.15 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LEU . 12.0 mt -76.22 -45.77 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.599 HG23 HG11 ' A' ' 42' ' ' VAL . 99.2 m -34.14 -46.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.56 -33.4 31.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 24.1 tp -60.94 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -51.67 -44.04 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -62.46 -24.38 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -82.82 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.12 34.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.582 ' HB3' HD12 ' A' ' 16' ' ' ILE . 16.0 m-85 -125.59 124.0 40.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -73.41 113.55 10.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG11 HG23 ' A' ' 32' ' ' THR . 88.7 t -93.53 125.84 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.05 129.62 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.36 -55.53 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.93 145.15 38.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.3 p -48.32 129.56 15.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -152.38 165.57 34.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.9 m -52.81 -49.19 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' THR . 5.9 mt-10 -35.98 -44.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.56 106.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.9 p -106.54 -28.65 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.59 ' CE1' HG13 ' A' ' 14' ' ' VAL . 2.6 m80 -135.13 130.1 34.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' HB2' ' A' ' 81' ' ' PRO . 61.3 t -111.89 128.24 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -104.48 139.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.3 mtt -142.37 154.81 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -123.89 151.62 43.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 43.68 35.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -111.16 140.38 45.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -79.02 163.91 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.87 78.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.18 -30.28 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -57.76 -41.43 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.814 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -60.12 -51.27 70.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -52.88 -31.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.2 -28.26 48.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.425 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 14.3 t90 -80.94 -23.41 38.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.4 -31.96 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.02 -43.33 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.9 mmt180 -56.57 -30.59 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 5.2 mmm180 -63.18 -71.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.517 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 mmt -45.8 -25.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -64.58 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.39 9.53 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 71' ' ' MET . . . -87.06 156.59 54.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.2 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.18 10.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.222 . . . . 0.0 112.375 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.49 -38.59 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.1 130.77 48.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 80' ' ' PRO . 99.8 m -80.53 138.85 51.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.171 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.73 142.1 47.12 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.542 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.5 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.28 128.15 35.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.814 HD13 ' HB1' ' A' ' 63' ' ' ALA . 35.2 mt -84.23 94.37 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.627 HD22 HG21 ' A' ' 101' ' ' VAL . 7.7 mt -99.71 171.34 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -105.62 152.94 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 tp -47.19 -25.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.5 m -53.42 -34.93 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 66.7 t90 -75.99 -41.41 51.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.16 -61.68 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.696 ' HA ' HD12 ' A' ' 93' ' ' LEU . 45.9 p -44.09 -55.17 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.87 -49.14 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.6 m -57.97 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 90' ' ' THR . 12.7 mt -64.94 -41.89 95.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.25 -10.68 84.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.97 -14.88 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.27 -10.09 17.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -133.37 152.35 79.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.77 108.1 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.412 HG23 ' NE1' ' A' ' 88' ' ' TRP . 15.3 m -71.07 153.3 94.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.627 HG21 HD22 ' A' ' 84' ' ' LEU . 2.2 p -37.63 133.75 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -104.06 170.76 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.49 -39.54 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -58.9 -40.59 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 6.8 m170 -62.4 -37.52 86.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -62.09 144.08 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.83 103.02 10.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -148.71 154.4 39.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.618 HG22 ' N ' ' A' ' 110' ' ' ALA . 13.7 p -123.89 166.68 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.618 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -172.15 110.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.35 65.71 2.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 123.32 10.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.282 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -44.53 126.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' A' ' 114' ' ' LYS . 1.9 tmtm? -113.5 22.71 13.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.17 76.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 118' ' ' SER . 3.5 pp -126.02 157.08 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.467 ' O ' HD12 ' A' ' 117' ' ' LEU . 54.1 p -65.28 122.5 80.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.89 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 65.78 26.24 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -106.0 178.88 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.474 ' HB3' ' CB ' ' A' ' 126' ' ' ALA . 26.2 mtp -120.36 141.56 32.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.717 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.74 178.76 4.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.63 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.518 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 9.8 p90 -89.24 25.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 122' ' ' MET . . . -97.0 43.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 32.1 p -168.47 167.63 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 95.4 p -157.76 168.23 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -161.11 143.68 9.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.53 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.4 p -144.29 116.13 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.9 m -137.19 155.67 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -53.85 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -86.13 167.72 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.17 -140.64 2.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -55.72 178.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -164.55 177.68 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -73.94 -39.84 45.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.434 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' THR . 45.3 t -38.07 157.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.953 0.406 . . . . 0.0 110.811 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.1 t -34.09 146.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.06 -45.17 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.6 m-85 -129.73 84.63 60.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -32.32 3.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.86 HG23 ' CE1' ' A' ' 52' ' ' HIS . 2.4 p -98.08 110.95 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.863 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.64 110.55 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mt -89.31 134.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 3.1 t80 -120.74 124.69 45.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.24 130.87 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' GLU . 66.1 t -86.82 102.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 6.2 mt-10 -37.7 -60.24 0.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.74 144.99 55.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 60.13 42.3 15.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.9 ttm -131.27 -67.55 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.7 171.32 22.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -80.52 -57.53 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -90.5 -43.74 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -39.19 -58.04 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.6 tmm_? -36.78 -64.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.43 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -40.06 -43.89 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.83 -44.81 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.719 ' O ' HG21 ' A' ' 42' ' ' VAL . 20.8 m -41.12 -60.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.85 -39.02 94.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD23 HD13 ' A' ' 93' ' ' LEU . 9.5 tp -53.56 -59.08 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -46.77 -70.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptp180 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 45.4 t -65.52 -40.49 93.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 37.5 mmtt -69.58 -41.84 75.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.81 31.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 18.0 m-85 -126.46 126.1 43.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -65.26 113.16 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 32' ' ' THR . 30.3 t -90.92 119.32 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.863 HD11 ' HB1' ' A' ' 15' ' ' ALA . 5.9 mt -92.25 144.36 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.49 -33.61 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.72 158.29 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.05 109.3 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -128.17 43.77 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m 54.84 28.95 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.32 -36.77 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.09 107.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -106.67 -33.01 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.86 ' CE1' HG23 ' A' ' 14' ' ' VAL . 12.9 m80 -131.18 116.59 17.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -94.65 138.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.41 134.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mtt -140.9 145.84 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -112.82 144.46 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 44.54 51.48 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -120.72 144.7 48.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -82.59 156.22 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.76 -48.99 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.23 -42.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.76 -59.65 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -43.11 -60.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.8 t -39.52 -45.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -50.5 -53.67 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -65.59 -34.18 77.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 83' ' ' LEU . 29.1 tt0 -58.19 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.6 mm-40 -47.46 -50.67 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' GLU . 22.2 mmt180 -34.54 -46.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.93 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.03 -29.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.32 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.89 31.22 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.55 152.33 46.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.72 23.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.52 35.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.05 -41.86 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.7 t -51.51 123.6 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.74 153.87 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.37 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 158.45 56.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.22 113.1 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' A' ' 63' ' ' ALA . 87.2 mt -70.72 116.53 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.6 mt -121.73 166.89 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.475 ' HB3' HD21 ' A' ' 107' ' ' LEU . 32.6 p30 -107.15 155.46 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.748 HG13 HG23 ' A' ' 90' ' ' THR . 9.5 tp -39.24 -42.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.473 ' N ' HG23 ' A' ' 86' ' ' ILE . 39.6 t -37.94 -47.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.31 -62.77 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.53 ' HG ' HD11 ' A' ' 93' ' ' LEU . 19.8 tp -48.04 -60.45 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.748 HG23 HG13 ' A' ' 86' ' ' ILE . 30.6 p -44.01 -39.19 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.64 -53.04 14.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -53.93 -41.78 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.72 HD13 HD23 ' A' ' 34' ' ' LEU . 22.5 mt -64.99 -53.39 46.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.25 -7.26 24.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.22 -21.48 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.18 -16.31 39.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -128.15 152.54 77.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.461 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.1 Cg_endo -69.77 108.14 2.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.212 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.92 152.4 93.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' VAL . 54.1 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.393 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' PRO . 97.5 t -33.84 146.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -129.33 158.13 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.48 -45.03 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -60.77 -39.9 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.37 -53.64 40.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -44.63 133.0 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 85' ' ' ASP . 77.6 mt -116.3 97.48 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -156.69 151.27 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.618 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.8 p -115.77 169.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.07 134.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.41 65.54 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.57 3.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.85 140.76 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -154.18 115.64 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 46.35 -157.78 0.42 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.55 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 117' ' ' LEU . 2.1 pt? -131.99 141.42 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 p -81.96 142.9 48.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.23 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -172.36 171.59 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -111.81 148.37 33.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.0 ptm -155.16 121.2 2.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.8 171.21 14.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.308 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.09 -37.22 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 1.7 p90 -81.91 39.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -93.83 41.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 86.3 m -144.96 124.92 13.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.9 p -160.18 142.41 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.42 125.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.3 t -159.55 154.02 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.4 m -153.29 160.55 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -171.03 151.34 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -119.95 152.75 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.88 155.03 26.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -105.17 129.11 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -132.62 100.62 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.49 -128.81 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -121.31 -70.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 t -175.31 137.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -48.9 -42.8 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.507 ' CD2' ' HD3' ' A' ' 98' ' ' PRO . 14.1 m-85 -120.25 83.75 33.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.81 18.85 56.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.4 t -143.56 111.13 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.99 110.15 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.9 mt -98.69 147.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.07 122.74 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -93.14 133.18 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 20' ' ' GLU . 1.8 t -72.79 169.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.6 mt-10 -104.57 -71.41 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.9 mmp_? -116.83 -31.45 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mmm -88.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.29 169.13 11.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -73.36 -43.6 60.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -95.95 -49.24 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' NH2' HG12 ' A' ' 86' ' ' ILE . 18.1 tpt180 -47.27 -36.29 8.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -72.77 -60.57 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.21 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 3.1 t80 -38.87 -43.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.65 -48.99 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.499 HG23 HG11 ' A' ' 42' ' ' VAL . 87.3 m -39.48 -61.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.43 99.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 HD13 ' A' ' 93' ' ' LEU . 15.0 tp -55.26 -61.05 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -43.33 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 49.8 mtt180 -37.85 -48.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t -60.32 -37.9 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ALA . 68.1 mmtt -71.22 -41.41 70.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.59 28.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 49.9 m-85 -113.98 124.42 52.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.01 117.7 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 32' ' ' THR . 61.9 t -96.89 129.66 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -93.96 142.54 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -82.83 -43.18 16.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.9 158.81 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.23 117.02 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -143.0 160.88 39.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -39.32 -44.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' THR . 16.6 mt-10 -41.22 -46.26 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.3 114.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 49' ' ' GLU . 29.8 p -121.48 -20.17 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -149.13 116.68 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 81' ' ' PRO . 97.0 t -97.16 141.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG11 HD22 ' A' ' 89' ' ' LEU . 58.0 t -115.7 128.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.71 143.02 49.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.13 137.34 46.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 47.38 51.8 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -120.58 145.35 47.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -83.26 152.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -52.64 -41.27 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.42 -27.44 56.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.38 -50.51 71.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -48.14 -55.06 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' GLN . 98.4 t -45.88 -56.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -45.71 -43.0 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.534 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 19.4 t90 -76.88 -20.63 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.721 ' HB2' HD11 ' A' ' 83' ' ' LEU . 44.6 tt0 -78.84 -32.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.17 -40.37 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 4.4 mmp_? -50.6 -36.36 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.3 mmm180 -60.1 -70.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 mmt -44.26 -24.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -73.05 -44.05 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.87 15.51 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -102.59 154.16 37.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 155.68 65.36 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.28 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.9 -32.62 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.79 137.9 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -88.44 131.35 42.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.75 . . . . 0.0 111.1 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.04 63.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.534 ' HB2' HG23 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.72 157.57 60.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.03 113.13 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 67' ' ' GLN . 62.9 mt -71.76 97.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.98 170.37 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.443 ' HB2' HD21 ' A' ' 107' ' ' LEU . 14.1 t70 -105.71 158.56 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.41 HG12 ' NH2' ' A' ' 27' ' ' ARG . 7.9 tp -44.11 -35.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -47.69 -39.18 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -66.25 -51.88 53.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' HG ' HD11 ' A' ' 93' ' ' LEU . 19.2 tp -54.68 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -39.58 -47.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.64 -45.47 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 m -59.71 -50.79 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.699 HD13 HD23 ' A' ' 34' ' ' LEU . 14.3 mt -57.7 -48.33 79.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.75 -22.51 70.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.13 22.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.78 -16.26 12.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.65 151.97 76.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.73 108.66 2.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.87 151.39 90.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -40.58 147.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -120.12 169.5 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.35 -11.81 60.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -100.67 -25.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -69.72 -47.61 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 14.8 mtp-105 -47.61 146.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 85' ' ' ASP . 23.1 mt -121.93 85.42 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.532 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 22.2 tt0 -132.86 164.65 26.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 110' ' ' ALA . 5.3 p -133.62 168.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.577 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 127.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.88 61.88 6.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.5 6.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -111.58 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.88 155.94 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.62 72.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 173.02 11.54 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.79 99.96 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.6 p -158.87 135.53 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.99 169.23 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.17 175.71 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 27.4 ptm -119.63 141.62 31.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.458 ' HB2' ' CE1' ' A' ' 125' ' ' TYR . 54.4 Cg_endo -69.75 165.98 29.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.64 2.227 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.81 -19.91 43.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 123' ' ' PRO . 1.1 p90 -94.79 47.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -131.71 115.83 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 28.6 p -174.01 133.77 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.7 m -151.57 176.73 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 153.58 -176.7 31.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.55 10.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.268 . . . . 0.0 112.309 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.9 t -126.68 -40.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 t 50.0 42.34 24.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -50.45 172.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -132.54 42.53 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.47 103.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -123.26 158.75 30.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -52.54 150.85 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.49 95.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -115.74 157.11 24.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 t -150.84 140.21 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -62.87 -47.54 82.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.2 m-85 -116.44 82.61 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.45 14.83 60.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' CE1' ' A' ' 52' ' ' HIS . 57.6 t -135.03 120.17 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.16 109.95 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 40' ' ' PHE . 62.8 mt -99.93 131.09 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -123.81 125.97 45.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.69 135.36 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.72 HG13 ' CZ2' ' A' ' 66' ' ' TRP . 2.6 t -64.42 109.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 16.9 mt-10 -39.2 -64.13 0.54 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.594 0.711 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.72 -90.89 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' PRO . 4.1 tpm_? -35.36 148.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ttp 72.58 42.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.15 140.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -84.79 -36.94 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -88.85 -46.99 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -45.76 -34.37 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.16 -58.31 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.94 -52.21 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.14 -51.24 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.7 mt -69.24 -52.08 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 59.0 m -36.45 -60.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.64 -47.5 88.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 93' ' ' LEU . 12.5 tp -46.82 -59.36 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -49.04 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.1 mtt-85 -36.62 -40.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -67.17 -43.37 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ALA . 62.7 mmtt -64.55 -51.2 64.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.82 34.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 54.7 m-85 -116.12 144.42 44.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -87.97 115.72 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.4 122.94 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.51 HD11 ' HB1' ' A' ' 15' ' ' ALA . 17.2 mt -82.46 149.85 27.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -83.04 -46.0 13.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.94 177.65 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.39 87.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.0 t -100.47 155.28 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -58.39 -17.11 17.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 51' ' ' THR . 18.1 mm-40 -66.61 -36.86 83.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.42 92.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' GLU . 27.5 p -89.69 -27.27 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.68 ' CE1' HG13 ' A' ' 14' ' ' VAL . 5.0 m80 -136.56 135.92 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.19 137.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -104.46 131.12 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.6 ' HG2' HG21 ' A' ' 19' ' ' VAL . 5.2 mtt -143.24 123.33 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -109.26 148.72 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 52.35 33.57 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.3 m -114.97 131.69 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLU . 50.3 m -70.39 140.63 52.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -43.17 -38.51 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.36 -33.0 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' SER . 12.5 mm-40 -59.96 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.586 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -60.08 -52.87 63.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.55 -26.2 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -84.48 -32.82 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.72 ' CZ2' HG13 ' A' ' 19' ' ' VAL . 27.4 t90 -75.67 -25.97 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.965 ' HG2' HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -84.59 -23.93 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.5 mt-10 -57.97 -57.06 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' GLU . 21.6 mmt85 -37.89 -37.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.7 mtp-105 -70.09 -64.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.68 -19.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.96 -40.17 47.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.3 17.8 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 148.15 45.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.545 0.688 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.82 43.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.32 -17.36 48.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.77 136.9 57.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 80' ' ' PRO . 84.9 m -87.91 138.28 31.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.8 136.13 32.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.56 69.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.965 HD11 ' HG2' ' A' ' 67' ' ' GLN . 5.1 mt -71.18 127.78 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 83' ' ' LEU . 19.0 mt -138.99 172.89 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -108.46 159.22 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.436 HG13 HG23 ' A' ' 90' ' ' THR . 8.2 tp -46.04 -36.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -45.55 -38.26 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.19 -60.93 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -47.04 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.436 HG23 HG13 ' A' ' 86' ' ' ILE . 36.2 p -46.24 -50.95 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.73 -33.68 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -75.95 -35.44 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.558 HD13 HD23 ' A' ' 34' ' ' LEU . 64.7 mt -70.09 -49.64 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -22.41 69.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.17 -15.37 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.15 -17.89 8.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -125.07 152.34 70.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.412 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.75 108.13 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.1 m -71.3 152.26 94.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.4 16.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.39 134.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 4.3 pt-20 -116.33 179.02 4.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.63 -52.63 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -56.8 -26.74 58.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.423 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 39.2 m170 -74.82 -41.22 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -58.3 126.9 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.618 HD11 ' O ' ' A' ' 84' ' ' LEU . 11.3 mt -107.49 90.54 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 13.9 tt0 -141.57 157.53 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.2 p -121.15 169.36 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.587 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.12 120.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.52 67.22 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.74 5.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 3.8 mmm180 -99.77 142.51 31.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -135.35 140.15 44.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.61 74.46 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -175.01 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 117' ' ' LEU . 4.0 pp -122.09 154.96 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 141.41 31.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.14 84.88 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -111.29 174.58 5.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.2 mtp -117.57 140.31 27.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.588 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.7 Cg_endo -69.74 -172.31 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.93 -35.39 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.4 OUTLIER -85.97 33.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.588 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -86.4 41.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.7 t -136.77 147.73 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.7 t -99.83 137.94 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.27 65.59 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 145.61 57.71 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 m -103.98 166.49 10.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.1 t -104.59 123.58 47.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -171.42 143.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -79.29 -60.34 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.74 136.36 3.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -152.11 152.23 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -160.48 175.53 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.19 -112.86 3.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' THR . 3.2 m -39.62 159.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' SER . 8.4 t -34.56 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -47.92 -40.17 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.8 m-85 -132.14 87.09 44.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -11.26 30.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.48 32.91 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -153.41 122.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 49' ' ' GLU . . . -127.08 126.48 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.1 mt -113.04 140.96 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -117.95 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.93 124.28 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 95.2 t -76.14 105.66 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 5.9 mp0 -38.09 -60.07 1.07 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.72 168.58 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 41.84 40.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.7 tpp -130.98 -66.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.5 153.52 5.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -75.74 -39.7 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -94.53 -37.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' ARG . 3.0 tpm_? -52.16 -54.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' ARG . 55.1 mtm180 -36.21 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.57 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -38.79 -50.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.34 -51.32 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 m -39.5 -48.45 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.23 -41.87 12.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.783 HD23 HD13 ' A' ' 93' ' ' LEU . 15.8 tp -50.79 -52.41 41.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -57.95 -57.05 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -44.34 -44.23 8.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -63.64 -40.45 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HG3' HD23 ' A' ' 93' ' ' LEU . 73.9 mmtt -68.43 -57.22 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.51 35.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.52 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 21.4 m-85 -123.49 122.9 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 136.03 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.22 123.79 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.1 mt -86.79 138.12 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.86 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.85 173.42 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.5 p -67.71 117.16 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -144.71 166.29 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -46.39 -45.49 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.6 mp0 -44.58 -35.48 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 113.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -38.02 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -125.68 113.79 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -95.89 128.24 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 HD22 ' A' ' 89' ' ' LEU . 58.7 t -93.65 129.24 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.8 mtt -128.53 111.14 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.74 130.71 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 60.65 47.01 8.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.5 m -124.94 139.94 53.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.79 174.69 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.65 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.72 -37.0 50.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -50.71 -44.03 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.978 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -59.41 -51.17 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 57.2 t -53.98 -30.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 t -82.13 -49.95 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -59.66 -28.26 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.6 pt20 -78.44 -34.48 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 4.4 mm-40 -64.19 -42.15 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -48.72 -44.06 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' ALA . 14.0 mtp-105 -64.42 -58.23 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -33.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.33 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.41 22.76 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -97.68 154.23 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.02 47.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.64 21.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.94 9.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.6 t -60.86 123.75 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.83 153.86 39.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.18 10.83 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.8 69.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.0 108.0 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.978 HD13 ' HB1' ' A' ' 63' ' ' ALA . 25.7 mt -67.22 116.49 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 107' ' ' LEU . 81.4 mt -120.39 170.33 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.67 151.25 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.653 HD13 HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -48.72 -40.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 86' ' ' ILE . 11.8 t -45.04 -40.18 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -62.98 -45.72 91.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 93' ' ' LEU . 13.4 tp -54.72 -55.99 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.653 HG23 HD13 ' A' ' 86' ' ' ILE . 34.9 p -56.33 -33.27 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -41.56 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 m -68.88 -43.32 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.783 HD13 HD23 ' A' ' 34' ' ' LEU . 6.1 mt -62.88 -51.08 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.71 -15.29 47.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.88 -14.55 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.31 -13.47 33.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -133.67 151.59 77.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.589 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.78 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.37 152.53 92.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.35 15.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.8 t -51.01 132.42 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -114.15 164.98 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 p -51.85 -37.28 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -69.38 -39.83 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.47 -49.62 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -45.92 138.14 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 84' ' ' LEU . 55.2 mt -113.57 93.51 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -149.99 151.94 34.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 110' ' ' ALA . 5.9 p -113.26 171.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.633 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.1 128.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.25 67.63 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 122.21 8.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.368 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -63.16 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -145.97 144.45 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' LYS . . . 36.8 72.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 174.1 10.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 117' ' ' LEU . 2.1 pp -122.68 151.97 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 m -156.79 138.34 9.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.719 0.771 . . . . 0.0 110.821 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -49.08 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.06 -179.61 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -105.15 137.5 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.7 mtp -139.76 137.03 17.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.685 . . . . 0.0 110.946 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 172.31 12.84 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.01 -49.78 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 126' ' ' ALA . 8.3 p90 -44.01 -44.3 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 125' ' ' TYR . . . -42.12 106.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.9 t -154.59 126.16 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.5 m -106.09 163.91 12.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.92 83.45 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.54 48.3 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.401 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.0 p -121.11 127.28 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.2 p -141.91 171.36 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -45.21 138.59 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -93.62 147.31 23.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.24 105.97 1.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -124.98 141.63 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -63.39 -56.61 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.03 137.42 7.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -109.02 -65.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.966 0.412 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 t -174.99 142.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 mmt180 -40.88 -49.94 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.4 m-85 -125.96 90.62 49.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.13 25.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.29 26.73 5.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -148.54 113.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -119.34 120.52 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.16 128.77 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -108.63 122.59 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.85 124.92 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.558 HG12 ' HG2' ' A' ' 21' ' ' PRO . 16.9 t -77.22 97.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -41.81 -54.1 7.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.902 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.5 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 63.13 52.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 tpp -133.58 -46.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.38 138.68 5.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -62.22 -26.88 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 56.2 m -96.82 -57.31 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -37.78 -61.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.5 tmm_? -35.5 -64.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -39.6 -43.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.84 -49.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.6 m -39.17 -55.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.72 82.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.907 HD23 HD13 ' A' ' 93' ' ' LEU . 11.3 tp -54.5 -58.8 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -46.95 -60.99 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -44.31 -44.48 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -65.55 -39.09 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -67.91 -56.68 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 146.55 33.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.487 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 16.3 m-85 -122.16 134.46 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -82.1 119.54 24.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.08 123.7 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.577 HD11 ' HB1' ' A' ' 15' ' ' ALA . 40.9 mt -88.54 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.97 -63.76 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.53 -75.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -174.63 110.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 m -110.47 24.78 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 m 60.27 27.2 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 51' ' ' THR . 7.5 mt-10 -115.18 -26.06 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.53 120.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 49' ' ' GLU . 10.3 p -123.57 -26.58 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -139.64 112.64 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 81' ' ' PRO . 98.6 t -93.37 138.71 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.594 HG13 ' HA ' ' A' ' 86' ' ' ILE . 50.4 t -105.75 120.1 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.473 ' HG2' HG21 ' A' ' 19' ' ' VAL . 19.8 mtt -119.69 155.79 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -131.6 134.4 45.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 47.28 53.05 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.8 m -133.84 135.22 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.3 m -68.43 169.12 11.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.62 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.15 -48.21 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -48.91 -35.84 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -62.71 -53.72 50.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -46.06 -52.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -50.41 -57.21 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -54.17 -37.65 64.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.587 ' HB2' HD11 ' A' ' 83' ' ' LEU . 37.8 tp60 -63.49 -50.06 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -41.35 -46.09 3.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.702 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.4 mmp_? -38.43 -60.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -47.2 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -43.16 -25.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -70.01 -47.13 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.91 24.16 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -101.71 159.85 28.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.1 Cg_endo -69.78 150.44 68.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.65 30.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.43 -43.83 2.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.0 m -54.18 117.88 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.423 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 12.4 m -76.14 135.6 69.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 111.132 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.4 Cg_endo -69.74 153.76 68.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.8 Cg_endo -69.8 172.62 12.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.82 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 63' ' ' ALA . 51.5 mt -72.52 100.49 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.552 ' O ' HD11 ' A' ' 107' ' ' LEU . 20.9 mt -111.35 175.64 5.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -105.62 153.46 21.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.594 ' HA ' HG13 ' A' ' 54' ' ' VAL . 6.8 tp -45.31 -26.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -53.06 -42.23 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.52 -53.48 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 54' ' ' VAL . 30.7 tp -53.02 -65.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' LEU . 77.2 p -34.13 -51.38 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.07 -47.38 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 53.9 m -57.67 -52.53 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.907 HD13 HD23 ' A' ' 34' ' ' LEU . 43.9 mt -57.22 -51.17 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.78 -15.41 48.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.491 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.69 -13.8 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.29 -12.27 26.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -132.67 152.4 79.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.74 108.97 2.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m -71.81 152.92 93.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.76 92.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 84' ' ' LEU . 3.1 p -35.02 146.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -113.69 -176.59 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 12.9 t -67.27 -46.6 73.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -54.71 -43.26 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -54.23 -48.39 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -49.77 142.43 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.552 HD11 ' O ' ' A' ' 84' ' ' LEU . 5.7 mt -119.2 91.07 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 3.2 tm-20 -138.69 153.93 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 110' ' ' ALA . 7.5 p -120.74 170.96 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.11 130.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.01 66.31 2.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 -147.33 168.57 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.56 145.92 50.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.62 171.25 44.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -177.33 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.89 156.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.6 m -38.71 144.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -46.73 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.99 171.6 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TRP . . . . . 0.521 ' CG ' ' N ' ' A' ' 122' ' ' MET . 1.2 t-105 -116.68 161.34 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.521 ' N ' ' CG ' ' A' ' 121' ' ' TRP . 4.4 ptp -174.18 143.4 0.9 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.432 ' HG2' ' CA ' ' A' ' 126' ' ' ALA . 53.9 Cg_endo -69.71 156.8 62.54 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -53.54 -38.93 64.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' ALA . 20.7 p90 -82.09 -52.49 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' TYR . . . 34.71 44.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 47.3 t -118.17 91.41 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.1 m -89.71 164.27 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.66 69.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 t -174.31 142.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.796 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.7 t -89.05 160.13 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -54.66 93.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -39.3 155.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.58 67.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -108.11 102.32 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -54.88 97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.43 78.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -147.02 147.79 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.431 HG21 ' HA ' ' A' ' 12' ' ' PRO . 13.9 t -171.23 141.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -51.44 -49.68 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.63 84.57 53.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HA ' HG21 ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.75 -40.92 4.76 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -30.25 19.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.845 HG23 ' CE1' ' A' ' 52' ' ' HIS . 2.1 p -105.54 114.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.39 116.65 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 40' ' ' PHE . 38.0 mt -97.72 137.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -119.73 129.17 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.79 131.98 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.826 HG11 ' CB ' ' A' ' 22' ' ' ARG . 2.0 t -68.72 142.18 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.597 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 6.5 mt-10 -84.77 -68.48 0.16 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.78 -51.93 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.826 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -50.8 -57.77 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.2 ttm -76.59 -54.25 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.9 153.42 6.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -69.97 -51.87 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -79.5 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -39.63 -53.04 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 28' ' ' ARG . 3.1 tmt_? -52.32 -43.75 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.73 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 9.7 t80 -43.12 -53.13 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.94 -45.44 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.849 HG23 HG11 ' A' ' 42' ' ' VAL . 93.5 m -38.35 -61.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.03 -32.66 81.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 93' ' ' LEU . 11.1 tp -67.26 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.05 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -50.24 -46.34 54.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.9 t -58.63 -28.65 65.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -84.73 -34.12 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.97 31.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.533 ' HB3' HD12 ' A' ' 16' ' ' ILE . 26.9 m-85 -125.35 117.47 23.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -55.53 117.62 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.849 HG11 HG23 ' A' ' 32' ' ' THR . 61.8 t -95.14 124.03 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -96.13 132.36 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.78 -46.61 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.65 172.35 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.53 116.74 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -139.1 157.97 45.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -43.67 -45.68 7.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 51' ' ' THR . 6.6 mp0 -42.63 -40.92 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.62 109.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 49' ' ' GLU . 70.9 p -103.2 -37.67 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.845 ' CE1' HG23 ' A' ' 14' ' ' VAL . 12.0 m80 -136.35 133.82 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.78 119.98 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' ' 86' ' ' ILE . 62.1 t -93.62 121.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.1 mtt -124.32 135.44 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.5 mt-10 -106.53 156.43 18.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.8 pt-20 37.11 40.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' ' 62' ' ' GLU . 97.7 m -111.22 128.19 55.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 t -68.52 151.03 47.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -45.99 -36.51 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.77 -41.83 15.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 58' ' ' THR . 4.0 tp10 -51.89 -37.21 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 -70.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -47.88 -34.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -66.09 -60.31 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.524 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 2.1 t90 -46.68 -22.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.523 ' CB ' HD11 ' A' ' 83' ' ' LEU . 17.9 tp60 -79.16 -48.23 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.81 -38.61 16.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.63 -36.57 69.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -67.18 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.418 ' SD ' ' NE2' ' A' ' 67' ' ' GLN . 41.3 mmm -39.94 -27.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -71.2 -52.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.84 17.96 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -77.68 147.63 75.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.65 33.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 131.85 22.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.287 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.71 10.85 72.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.2 p -71.16 159.44 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' HD2' ' A' ' 80' ' ' PRO . 97.9 m -120.41 135.33 24.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 111.202 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.531 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.77 113.44 3.38 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.71 169.22 19.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.33 99.94 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 67' ' ' GLN . 8.1 mt -69.4 111.7 5.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.08 175.94 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.589 ' HB2' HD21 ' A' ' 107' ' ' LEU . 10.7 t70 -107.07 152.79 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.471 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.5 tp -43.49 -29.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -52.59 -42.05 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 105' ' ' HIS . 73.0 t90 -66.24 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.463 HD22 HG11 ' A' ' 54' ' ' VAL . 13.8 tp -75.75 -61.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.406 ' HA ' HD12 ' A' ' 93' ' ' LEU . 11.6 p -39.35 -34.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.31 -43.4 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' LEU . 15.4 m -65.62 -46.0 80.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.514 HD13 HD23 ' A' ' 34' ' ' LEU . 10.3 mt -57.97 -51.95 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.01 61.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.67 -15.05 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 -9.6 24.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -134.54 152.37 77.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG22 ' OG ' ' A' ' 92' ' ' SER . 13.9 m -71.23 153.44 94.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -41.3 151.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 13.0 pt-20 -130.83 165.95 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.3 m -56.26 -33.2 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -69.91 -26.58 64.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 88' ' ' TRP . 21.8 m170 -76.94 -46.28 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -45.31 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.589 HD21 ' HB2' ' A' ' 85' ' ' ASP . 18.8 mt -126.41 118.39 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.805 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 13.3 tt0 -166.5 161.26 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.634 HG22 ' H ' ' A' ' 110' ' ' ALA . 8.9 p -123.26 170.5 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.634 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.08 114.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.66 64.75 3.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.06 61.73 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -106.22 154.45 20.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.87 153.86 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 38.88 75.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.431 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 173.56 10.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.629 HD12 ' HD3' ' A' ' 119' ' ' PRO . 4.1 pp -129.93 145.91 51.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.446 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 13.5 m -112.74 101.53 53.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.629 ' HD3' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.74 -44.2 2.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.718 2.279 . . . . 0.0 112.344 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.56 173.81 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -122.11 153.66 38.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 ptm -162.11 140.08 6.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.55 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.9 Cg_endo -69.79 165.3 31.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.02 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.542 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 16.1 p90 -84.53 37.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -135.82 117.8 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 t -156.32 165.59 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 p -135.84 149.34 49.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -177.64 74.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 155.36 65.95 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.6 t -105.64 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.9 m -53.07 120.55 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.772 0.32 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -58.66 -41.17 85.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.7 m-85 -125.26 81.69 63.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -37.8 8.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.5 -32.55 38.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.777 HG23 ' ND1' ' A' ' 52' ' ' HIS . 2.1 p -102.98 114.57 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.37 114.44 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.534 HG23 HG23 ' A' ' 54' ' ' VAL . 35.0 mt -93.55 133.9 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 25.3 t80 -131.38 135.87 47.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.886 HD23 ' HB ' ' A' ' 54' ' ' VAL . 1.2 mt -101.86 165.78 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.713 HG12 ' HD2' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -108.31 142.67 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.4 mt-10 -70.88 -57.27 5.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.713 ' HD2' HG12 ' A' ' 19' ' ' VAL . 54.2 Cg_endo -69.73 5.37 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.392 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.485 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 10.0 tpp180 -123.86 -31.55 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.599 ' SD ' HD22 ' A' ' 18' ' ' LEU . 12.0 ttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ARG . 34.2 ttp180 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.802 0.335 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.413 ' HG3' HD12 ' A' ' 18' ' ' LEU . 8.2 ttp85 -38.29 -53.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.97 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -39.81 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' SD ' ' A' ' 23' ' ' MET . 30.4 mt -67.22 -45.68 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.917 HG23 HG11 ' A' ' 42' ' ' VAL . 97.3 m -41.37 -52.06 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.33 -44.61 21.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD23 HD13 ' A' ' 93' ' ' LEU . 31.1 tp -49.52 -56.21 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.97 22.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -42.68 -42.03 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 m -65.68 -37.15 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -68.04 -53.8 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.19 34.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -122.61 142.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -92.28 115.67 28.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.917 HG11 HG23 ' A' ' 32' ' ' THR . 90.8 t -95.83 125.91 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.62 131.25 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.71 -57.45 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.21 144.01 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -49.62 115.46 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -134.18 151.79 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -44.39 -36.71 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 51' ' ' THR . 1.6 mp0 -50.99 -40.22 57.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.22 114.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 49' ' ' GLU . 36.3 p -108.09 -36.29 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.777 ' ND1' HG23 ' A' ' 14' ' ' VAL . 28.9 m80 -126.76 131.47 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 81' ' ' PRO . 25.0 t -109.31 130.21 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.886 ' HB ' HD23 ' A' ' 18' ' ' LEU . 88.0 t -98.48 117.44 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.3 mtt -122.51 135.25 54.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -106.87 131.33 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 59.84 46.86 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 62' ' ' GLU . 91.3 m -119.69 134.67 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -76.79 151.66 35.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.08 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.4 pt-20 -78.89 -49.37 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HB3' HG23 ' A' ' 58' ' ' THR . 8.6 mm-40 -39.15 -51.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -46.49 -54.06 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.1 t -48.5 -49.54 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -47.21 -44.87 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -75.13 -23.72 57.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.796 ' HB2' HD11 ' A' ' 83' ' ' LEU . 35.5 tt0 -71.27 -34.94 71.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.4 -44.21 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -49.12 -37.01 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 4.3 mmm180 -61.61 -60.43 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.2 mmt -53.98 -21.38 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -43.11 54.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.94 19.91 18.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.16 148.68 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 159.61 52.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.71 63.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.75 -29.67 3.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.45 123.65 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.617 HG23 ' HD2' ' A' ' 80' ' ' PRO . 87.5 m -78.54 138.32 58.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.78 144.47 54.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.436 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.7 Cg_endo -69.81 142.3 47.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.75 114.48 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.796 HD11 ' HB2' ' A' ' 67' ' ' GLN . 13.4 mt -75.78 120.7 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 83' ' ' LEU . 6.3 mt -126.71 177.32 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -106.54 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 HG23 ' A' ' 90' ' ' THR . 7.1 tp -61.81 -33.37 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 t -47.7 -48.94 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.83 -55.43 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' SER . 33.9 tp -51.72 -64.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.401 HG23 HG13 ' A' ' 86' ' ' ILE . 40.4 p -41.01 -52.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.75 -35.1 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . 24.9 m -69.59 -51.8 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.492 HD13 HD23 ' A' ' 34' ' ' LEU . 11.7 mt -53.71 -49.12 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.05 -21.09 67.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.05 -13.65 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.09 15.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.27 152.35 78.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.591 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.4 Cg_endo -69.71 108.27 2.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.1 m -67.65 153.01 95.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.19 7.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 102' ' ' GLU . 88.8 t -46.66 152.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.418 ' N ' HG12 ' A' ' 101' ' ' VAL . 7.6 pt-20 -141.66 159.78 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.4 -55.72 2.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -49.64 -41.33 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.21 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -48.46 129.93 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.555 HD11 ' O ' ' A' ' 84' ' ' LEU . 8.7 mt -107.18 96.46 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -145.71 162.78 36.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.611 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.8 p -135.56 169.96 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.611 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 136.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.27 65.98 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.752 0.311 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -54.26 -49.0 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.2 m-85 -121.95 82.53 43.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -30.25 22.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.0 -33.54 69.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.83 HG23 ' CE1' ' A' ' 52' ' ' HIS . 1.3 p -102.18 114.59 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.499 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -112.99 112.81 24.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 17' ' ' TYR . 73.6 mt -90.87 154.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 45' ' ' ALA . 69.8 t80 -134.12 143.47 47.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' ' HG3' ' A' ' 28' ' ' ARG . 12.7 mt -115.32 141.16 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.548 HG12 ' HD2' ' A' ' 21' ' ' PRO . 2.7 t -80.42 160.82 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 mm-40 -87.02 -68.69 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.1 Cg_endo -69.8 -52.0 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 19' ' ' VAL . 2.6 mmp_? -48.86 -61.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.0 mmm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 52.5 ttt-85 -54.78 -60.17 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.48 -56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -40.49 -55.67 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 65.2 mt -63.29 -47.95 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.532 ' HA ' HG21 ' A' ' 42' ' ' VAL . 86.9 m -37.69 -65.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.31 -45.28 95.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -53.31 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -41.55 -66.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 95.8 mtt180 -37.18 -45.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 30.8 mmtm -62.6 -49.57 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.03 33.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.635 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 7.1 m-85 -130.96 128.76 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -84.62 116.05 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 32' ' ' THR . 61.6 t -89.09 130.15 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD11 ' HB1' ' A' ' 15' ' ' ALA . 18.9 mt -91.78 143.51 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.08 22.86 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -170.77 -178.58 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.45 82.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.8 m -113.45 177.24 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 p -48.53 -40.98 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -46.97 -43.59 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.56 113.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.0 p -98.6 -29.85 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.83 ' CE1' HG23 ' A' ' 14' ' ' VAL . 11.7 m80 -139.36 150.3 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 t -124.39 131.02 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.429 HG11 HD22 ' A' ' 89' ' ' LEU . 38.8 t -104.77 129.18 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.5 ' HG2' HG21 ' A' ' 19' ' ' VAL . 6.3 mtt -137.47 130.89 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.91 144.42 26.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 50.76 38.79 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.3 m -119.49 136.32 54.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.2 p -88.91 178.12 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -65.36 -47.01 77.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.7 pt-20 -66.68 -52.08 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 30.0 tt0 -46.26 -51.22 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.768 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -47.22 -60.6 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.7 t -46.82 -46.52 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -53.48 -53.91 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.454 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 27.2 t90 -65.47 -28.19 69.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.677 ' HB2' HD11 ' A' ' 83' ' ' LEU . 32.8 tt0 -68.7 -39.92 80.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -65.41 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.47 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 20.5 mtt-85 -66.8 -56.01 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 mmm -41.78 -29.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.95 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.64 8.36 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -72.89 157.53 88.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.6 Cg_endo -69.83 164.1 35.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.9 22.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -14.75 64.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -64.55 135.43 55.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.666 HG23 ' HD2' ' A' ' 80' ' ' PRO . 92.8 m -104.86 139.07 19.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 111.157 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.72 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.14 110.5 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.768 HD13 ' HB1' ' A' ' 63' ' ' ALA . 44.5 mt -69.71 116.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 107' ' ' LEU . 10.2 mt -120.22 171.17 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.452 ' HB2' HD21 ' A' ' 107' ' ' LEU . 38.8 t70 -107.5 149.72 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.816 HG13 HG23 ' A' ' 90' ' ' THR . 4.2 tp -36.24 -35.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -42.1 -48.37 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.92 -55.63 31.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' SER . 21.0 tp -55.2 -62.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.816 HG23 HG13 ' A' ' 86' ' ' ILE . 12.8 p -37.47 -55.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.75 -33.95 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.522 ' OG ' HG22 ' A' ' 99' ' ' VAL . 50.8 m -71.06 -45.43 63.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.5 -57.02 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.01 -14.48 38.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.51 -15.49 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.06 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -134.32 152.25 77.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG22 ' OG ' ' A' ' 92' ' ' SER . 19.6 m -69.63 150.9 96.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 99.19 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 105' ' ' HIS . 1.9 p -40.51 147.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -120.41 168.33 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.1 -37.07 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.427 ' CB ' HG23 ' A' ' 101' ' ' VAL . 6.7 m170 -67.91 -53.09 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -43.3 144.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.646 HD11 ' O ' ' A' ' 84' ' ' LEU . 13.9 mt -115.96 98.49 6.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 12.4 tt0 -149.07 153.89 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.599 HG22 ' N ' ' A' ' 110' ' ' ALA . 10.8 p -128.71 167.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.599 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -170.24 115.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.68 59.84 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.809 0.338 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -49.25 -43.35 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.44 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 25.0 m-85 -117.46 82.76 15.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.89 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.84 -31.61 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.033 HG23 ' CE1' ' A' ' 52' ' ' HIS . 12.3 p -93.63 107.74 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.02 110.73 18.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 54' ' ' VAL . 18.6 mt -92.45 137.68 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -116.76 126.2 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.71 126.59 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG12 ' HG2' ' A' ' 21' ' ' PRO . 18.8 t -80.06 98.43 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.0 mt-10 -34.51 -60.07 0.54 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HG2' HG12 ' A' ' 19' ' ' VAL . 54.2 Cg_endo -69.76 143.36 50.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 59.78 42.31 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.1 tpp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.75 0.31 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -39.65 -48.61 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.25 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' HD22 ' A' ' 34' ' ' LEU . 21.2 t80 -40.62 -50.48 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.04 -43.77 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.487 HG23 HG11 ' A' ' 42' ' ' VAL . 94.1 m -40.64 -62.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.02 -41.14 72.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.712 HD23 HD13 ' A' ' 93' ' ' LEU . 28.7 tp -47.91 -57.72 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.16 -58.75 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.043 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -43.97 -42.15 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -64.76 -38.98 92.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -67.29 -54.98 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.04 34.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 24.8 m-85 -119.48 139.86 51.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -83.43 110.06 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 HG23 ' A' ' 32' ' ' THR . 92.3 t -93.97 125.62 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.5 127.01 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.12 -49.91 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.08 162.88 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.3 118.51 6.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -139.0 153.95 48.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 p -49.94 -27.81 5.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -56.92 -40.52 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.58 108.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.535 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.7 p -95.26 -47.01 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.033 ' CE1' HG23 ' A' ' 14' ' ' VAL . 6.9 m80 -124.6 143.01 50.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.6 t -115.74 138.35 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 HD22 ' A' ' 89' ' ' LEU . 60.6 t -105.89 124.91 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.659 ' SD ' HG21 ' A' ' 58' ' ' THR . 19.3 mtt -128.5 117.45 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.41 140.4 29.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 46.13 46.99 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.659 HG21 ' SD ' ' A' ' 55' ' ' MET . 86.2 m -121.1 131.69 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -69.35 158.99 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.48 90.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.8 -42.57 49.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' HG23 ' A' ' 58' ' ' THR . 40.7 tt0 -53.51 -44.85 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.91 65.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.65 -50.88 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -49.42 -63.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -43.57 -40.53 4.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.466 ' NE2' ' HD2' ' A' ' 81' ' ' PRO . 7.5 tp-100 -67.15 -51.71 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ARG . 54.1 mm-40 -38.1 -48.99 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' GLU . 8.4 mmm180 -36.42 -47.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.9 mtp180 -62.56 -59.54 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.44 -34.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.61 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.91 24.76 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -106.71 151.86 40.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.31 57.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.22 25.08 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 -29.66 12.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.8 p -55.44 126.48 25.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.8 m -98.65 130.84 27.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.707 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HD2' ' NE2' ' A' ' 67' ' ' GLN . 53.1 Cg_endo -69.77 172.31 12.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 111.85 20.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -76.04 106.39 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 101' ' ' VAL . 47.6 mt -112.11 174.23 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.431 ' HB2' HD21 ' A' ' 107' ' ' LEU . 5.0 t70 -108.07 155.42 20.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.5 tp -45.53 -22.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -58.32 -43.78 88.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.99 -54.18 38.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 54' ' ' VAL . 27.4 tp -50.75 -61.67 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -46.66 -43.96 18.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.03 -41.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -68.18 -47.65 67.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.712 HD13 HD23 ' A' ' 34' ' ' LEU . 17.0 mt -59.51 -51.14 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -14.16 46.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.02 -12.87 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.82 -12.73 21.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -132.66 152.48 80.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.82 108.85 2.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.68 152.6 95.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 93.74 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 84' ' ' LEU . 5.4 p -40.08 148.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -130.74 169.18 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 88.1 m -49.57 -49.82 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -49.58 -42.23 43.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -67.35 -43.13 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -53.41 132.8 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 85' ' ' ASP . 46.9 mt -102.75 95.89 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.77 154.09 43.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.609 HG22 ' N ' ' A' ' 110' ' ' ALA . 11.7 p -123.04 167.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.609 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -175.03 131.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 53.63 63.11 5.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.801 0.334 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -52.21 -47.09 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 7.8 m-85 -122.17 83.69 45.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.45 28.7 13.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.3 119.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 49' ' ' GLU . . . -119.47 116.39 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 52' ' ' HIS . 28.6 mt -107.64 139.81 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -120.67 124.47 45.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.08 130.41 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.76 HG21 ' HG2' ' A' ' 55' ' ' MET . 2.9 t -62.85 149.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.609 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.5 mm-40 -87.46 -68.87 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.71 -51.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.743 ' CB ' HG11 ' A' ' 19' ' ' VAL . 20.9 tpp180 -46.17 -24.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.406 ' CE ' ' H ' ' A' ' 19' ' ' VAL . 31.5 mtm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.56 -57.94 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.26 -47.27 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -44.36 -65.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.46 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -40.66 -62.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.57 -49.73 75.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.674 ' CD2' HD22 ' A' ' 93' ' ' LEU . 15.2 tp -47.5 -58.61 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.941 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -45.9 -65.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 80.9 mtt180 -37.52 -38.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -72.12 -45.87 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.606 ' HG3' HD23 ' A' ' 93' ' ' LEU . 21.7 mmtp -58.54 -42.2 87.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.26 26.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.499 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 40.9 m-85 -109.11 143.87 37.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -90.2 115.71 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.0 t -99.85 132.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.43 148.18 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -43.93 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.44 169.18 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.21 146.46 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -172.62 -178.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -82.1 -12.3 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.699 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 33.0 mt-10 -70.61 -31.86 69.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 107.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.56 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 3.0 p -113.75 -26.84 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.56 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 1.5 m80 -144.79 109.29 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -96.9 122.2 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 t -93.28 141.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.76 ' HG2' HG21 ' A' ' 19' ' ' VAL . 15.5 mtt -140.72 166.62 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 21.8 mt-10 -133.94 145.87 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 9.2 pt-20 42.87 36.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.412 HG21 ' SD ' ' A' ' 55' ' ' MET . 23.1 m -112.42 120.19 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -178.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.57 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.76 -37.52 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.16 -33.25 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.3 -50.83 50.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.454 HG21 ' HG2' ' A' ' 108' ' ' GLU . 43.6 t -61.35 -30.2 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -75.64 -33.57 60.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CH2' ' NE ' ' A' ' 70' ' ' ARG . 11.2 t90 -75.13 -25.59 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.3 -20.53 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.76 -52.39 60.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -46.45 -31.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' CH2' ' A' ' 66' ' ' TRP . 23.6 mtt-85 -77.34 -63.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mmt -47.14 -21.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.06 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.72 10.77 40.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -81.37 155.37 71.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.697 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.7 Cg_endo -69.8 154.44 67.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 136.89 34.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 -21.7 43.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.2 t -62.07 125.08 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 80' ' ' PRO . 90.2 m -78.0 138.41 61.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.595 0.712 . . . . 0.0 111.166 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.7 128.71 16.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 137.48 35.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.26 106.13 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 107' ' ' LEU . 15.3 mt -71.63 110.66 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.578 ' C ' HD11 ' A' ' 107' ' ' LEU . 39.4 mt -109.95 171.34 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -105.91 156.74 18.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tp -45.77 -25.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.8 m -58.7 -42.04 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.477 ' CG ' HD13 ' A' ' 84' ' ' LEU . 77.2 t90 -64.01 -42.1 97.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.38 -55.39 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.2 p -51.71 -27.78 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -71.92 -44.38 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m -73.79 -37.58 64.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 34' ' ' LEU . 74.9 mt -62.26 -45.82 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.9 -9.13 87.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.07 -14.29 14.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.77 -16.98 9.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -128.69 151.93 77.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.2 Cg_endo -69.8 108.34 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -70.48 151.79 95.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.73 13.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t -42.47 139.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -116.8 160.52 20.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.51 -26.2 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -82.64 -29.91 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.3 -48.52 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -42.82 135.51 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.578 HD11 ' C ' ' A' ' 84' ' ' LEU . 13.3 mt -119.26 96.79 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.454 ' HG2' HG21 ' A' ' 64' ' ' VAL . 10.1 tm-20 -152.27 154.9 36.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.596 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.9 p -117.88 169.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.596 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -174.37 109.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.24 71.41 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.771 0.32 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -51.18 -46.59 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 19.6 m-85 -119.96 83.51 30.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.62 16.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.97 30.46 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -148.67 111.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.794 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.96 111.96 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.6 mt -100.89 135.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -118.4 131.52 56.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.09 136.99 36.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 22' ' ' ARG . 11.1 t -73.95 158.34 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.612 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.1 mt-10 -87.39 -68.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.74 -51.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HB2' HG11 ' A' ' 19' ' ' VAL . 36.8 mmt-85 -52.23 -52.7 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 9.0 mtp-105 -50.31 -62.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -50.95 15.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -38.78 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.99 -45.75 90.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.6 m -37.92 -53.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.81 -41.25 56.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.04 -60.59 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.28 -58.9 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -43.72 -40.94 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -68.05 -37.01 80.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -67.04 -59.85 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.25 34.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -119.92 145.82 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -91.88 112.76 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.54 129.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD11 ' HB1' ' A' ' 15' ' ' ALA . 9.2 mt -97.1 142.84 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.05 -34.63 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.91 167.43 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.3 t -69.46 101.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.7 m -120.64 46.85 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.1 p 42.42 36.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 51' ' ' THR . 8.0 mt-10 -120.8 -35.4 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.47 104.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 49' ' ' GLU . 20.6 p -101.61 -24.1 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -138.63 118.72 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.76 132.12 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 89' ' ' LEU . 62.2 t -102.44 117.24 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.3 mtt -127.04 132.5 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -119.65 139.07 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 60.15 52.55 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.5 m -140.27 143.28 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 m -75.67 172.29 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -67.61 -43.24 80.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -48.03 28.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -43.88 -48.89 8.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.78 -51.81 36.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.19 -41.63 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -55.53 -56.8 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -56.44 -33.1 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.05 -37.58 87.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.19 -41.58 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -46.86 -42.05 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' ALA . 8.7 mmp_? -61.58 -62.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -32.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.52 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.04 27.19 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -98.68 153.08 38.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.73 26.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.389 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.64 19.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.38 20.57 74.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.38 157.0 38.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 80' ' ' PRO . 84.8 m -111.89 132.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.76 121.72 8.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.17 13.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 84' ' ' LEU . . . -92.44 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' LEU . 69.4 mt -70.67 97.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 101' ' ' VAL . 5.5 mt -109.82 170.73 7.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.81 159.64 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.702 HG13 HG23 ' A' ' 90' ' ' THR . 2.7 tp -45.82 -34.4 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -46.29 -37.31 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -70.11 -40.82 74.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 54' ' ' VAL . 41.1 tp -69.17 -57.48 5.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.702 HG23 HG13 ' A' ' 86' ' ' ILE . 32.2 p -47.93 -28.45 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -83.64 -35.19 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -71.32 -35.88 71.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.415 HD11 ' HG ' ' A' ' 89' ' ' LEU . 14.4 mt -67.64 -54.74 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.45 -12.48 39.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.12 -19.89 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.44 -13.75 32.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -131.73 152.12 79.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.534 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.58 150.29 95.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.578 0.704 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 91.95 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.283 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 84' ' ' LEU . 7.5 p -35.09 142.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -116.97 171.34 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.0 p -61.04 -20.42 62.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -79.13 -41.59 28.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -64.41 -43.07 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -52.06 159.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' LEU . 10.1 mt -120.33 127.63 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.526 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 18.5 tt0 -174.19 153.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.567 HG22 ' N ' ' A' ' 110' ' ' ALA . 12.1 p -120.05 162.75 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.567 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -169.87 128.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 112' ' ' PRO . . . 61.67 54.45 35.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.339 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -49.49 -45.98 47.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 3.4 m-85 -130.59 86.59 52.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.48 32.49 6.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -149.56 112.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.97 134.19 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.652 ' CG2' HG23 ' A' ' 54' ' ' VAL . 49.5 mt -117.65 152.38 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE2' ' O ' ' A' ' 18' ' ' LEU . 87.7 t80 -131.16 161.14 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.529 HD23 ' HB ' ' A' ' 54' ' ' VAL . 13.4 mt -133.29 148.56 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 99.6 t -97.39 132.75 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 9.7 mt-10 -68.39 -55.9 11.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -120.06 -64.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.6 mmm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ARG . 21.9 tpp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -34.5 -56.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.81 96.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.3 t80 -47.05 -47.04 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.21 -46.39 17.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -43.62 -57.65 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.68 93.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 93' ' ' LEU . 26.1 tp -62.16 -59.4 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 93' ' ' LEU . . . -53.07 -45.5 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -50.6 -49.78 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.2 t -58.89 -30.58 67.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 26.8 mmtm -72.26 -56.74 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.28 35.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -124.4 128.76 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -82.85 108.8 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -96.55 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.46 132.96 38.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.8 -37.03 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.12 167.87 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 p -72.45 141.39 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -164.49 -177.96 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -76.29 -27.19 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.82 -34.39 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.3 p -96.33 -28.33 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -134.81 155.19 51.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.415 HG22 ' HB3' ' A' ' 17' ' ' TYR . 98.8 t -132.32 134.94 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.652 HG23 ' CG2' ' A' ' 16' ' ' ILE . 48.3 t -102.45 127.74 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 mtt -135.56 146.01 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CD ' HG21 ' A' ' 86' ' ' ILE . 7.4 mm-40 -116.24 158.17 23.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 42.73 27.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.5 HG23 ' HB3' ' A' ' 62' ' ' GLU . 14.6 m -110.7 116.47 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -70.81 165.35 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -53.36 -50.48 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.11 -30.9 71.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 58' ' ' THR . 14.2 mt-10 -64.22 -53.06 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.407 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -46.17 -54.34 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.3 t -46.67 -38.27 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -60.49 -56.31 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -60.21 -16.0 29.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.75 ' HB2' HD11 ' A' ' 83' ' ' LEU . 3.9 tp-100 -84.93 -46.34 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.6 -43.91 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -54.42 -39.24 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.96 -62.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mmt -48.12 -20.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.87 21.55 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.24 151.36 37.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 155.06 66.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.48 32.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.51 -8.63 78.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.7 t -84.18 141.94 30.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.402 HG23 ' HD2' ' A' ' 80' ' ' PRO . 78.8 m -101.75 132.49 21.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.1 Cg_endo -69.78 144.98 55.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.06 11.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.85 118.2 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 67' ' ' GLN . 51.5 mt -76.98 105.39 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 107' ' ' LEU . 11.9 mt -115.4 173.62 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -106.09 157.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.48 HG21 ' CD ' ' A' ' 56' ' ' GLU . 5.0 tp -50.28 -30.72 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.7 t -52.73 -27.45 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -75.59 -52.34 10.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.34 -57.46 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.5 p -47.38 -45.83 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.53 -32.56 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 m -78.08 -30.59 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 61.5 mt -71.94 -51.93 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.88 -14.05 60.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.52 -17.39 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.72 -10.99 28.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -132.52 151.82 78.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.76 108.3 2.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.0 151.2 88.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 116.03 4.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' PRO . 50.9 t -35.88 152.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' N ' HG12 ' A' ' 101' ' ' VAL . 48.1 mm-40 -125.43 175.95 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 t -66.83 -32.8 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -75.24 -24.6 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -74.99 -53.78 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 mtp-105 -41.39 120.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 84' ' ' LEU . 45.1 mt -97.82 69.62 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.493 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 26.2 tt0 -127.77 151.03 49.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.581 HG22 ' N ' ' A' ' 110' ' ' ALA . 8.7 p -122.01 168.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.581 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -175.1 127.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.93 63.85 4.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.358 -179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -52.05 -46.21 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.479 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 26.4 m-85 -118.49 82.49 19.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.96 24.93 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.7 27.66 19.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.4 t -142.11 114.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -115.74 128.07 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 52' ' ' HIS . 24.5 mt -117.91 137.53 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -121.25 128.4 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.422 ' CB ' ' HG3' ' A' ' 28' ' ' ARG . 30.0 mt -93.09 140.08 29.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 22' ' ' ARG . 65.1 t -85.43 98.53 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 23.5 mt-10 -34.19 -58.8 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.521 ' HB2' HG11 ' A' ' 19' ' ' VAL . 66.9 mmt-85 -28.61 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.571 ' HE2' ' O ' ' A' ' 54' ' ' VAL . 11.6 tpp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HG3' ' CB ' ' A' ' 18' ' ' LEU . 28.7 ttp180 -57.3 -56.43 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.17 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -40.35 -50.22 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.7 mt -71.29 -49.16 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 93.3 m -34.04 -59.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.46 -44.18 84.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.578 HD23 HD13 ' A' ' 93' ' ' LEU . 18.6 tp -52.5 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -55.06 12.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -46.5 -46.92 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -60.18 -35.69 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -69.67 -58.71 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.6 34.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.51 134.8 55.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.75 115.43 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG11 HG23 ' A' ' 32' ' ' THR . 70.4 t -93.93 120.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.492 HD11 ' HB1' ' A' ' 15' ' ' ALA . 58.6 mt -76.08 134.93 39.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.29 -48.82 63.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.63 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.44 141.97 58.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 p -172.27 168.07 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -55.67 -33.29 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' THR . 4.0 mm-40 -45.25 -48.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.11 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 49' ' ' GLU . 63.2 p -105.15 -33.92 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' O ' HG23 ' A' ' 16' ' ' ILE . 62.0 m80 -132.35 101.39 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.1 t -85.44 138.42 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.571 ' O ' ' HE2' ' A' ' 23' ' ' MET . 89.5 t -109.57 141.49 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.497 ' CE ' ' CE3' ' A' ' 66' ' ' TRP . 51.8 mtt -139.4 140.25 37.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -117.08 131.31 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.01 42.67 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.4 m -115.61 140.22 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -77.06 154.78 33.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.52 73.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.55 -41.18 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.65 -55.23 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.559 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -45.21 -51.34 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 42.2 t -60.67 -28.39 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -83.3 -30.84 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.497 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 54.8 t90 -78.12 -19.5 53.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.4 pt20 -87.52 -32.65 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.9 mm-40 -55.74 -50.9 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' GLU . 83.3 mmt-85 -34.5 -43.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' ALA . 23.7 mtp180 -71.77 -61.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.7 mmm -45.93 -29.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.05 -55.46 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.72 32.2 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -79.67 157.37 74.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.689 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.8 Cg_endo -69.78 162.36 42.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.5 9.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.08 58.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -56.34 158.23 4.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 80' ' ' PRO . 98.0 m -123.13 136.02 26.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.81 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.68 176.53 6.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.81 109.28 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.559 HD13 ' HB1' ' A' ' 63' ' ' ALA . 22.5 mt -70.61 106.96 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' ' 88' ' ' TRP . 27.9 mt -113.12 166.32 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -106.22 156.76 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 87' ' ' SER . 8.5 tp -42.66 -42.72 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 86' ' ' ILE . 14.5 m -44.63 -41.05 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.5 ' CD1' HD13 ' A' ' 84' ' ' LEU . 62.8 t90 -61.47 -52.02 66.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' SER . 47.2 tp -55.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 93' ' ' LEU . 29.2 p -37.97 -50.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -59.0 -39.81 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 16.5 m -67.17 -38.41 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.578 HD13 HD23 ' A' ' 34' ' ' LEU . 16.6 mt -66.62 -51.82 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.39 -10.51 48.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.501 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.37 -16.9 14.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.98 -14.63 19.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 27.6 pt20 -129.95 151.21 77.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.479 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.8 Cg_endo -69.75 108.35 2.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.2 m -71.04 148.55 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 84.2 t -34.94 135.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -103.25 171.83 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 p -63.77 -34.39 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -77.05 -38.12 53.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ARG . 46.3 m170 -54.53 -56.39 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' HIS . 75.3 mtt180 -35.86 126.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -109.24 94.1 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 6.8 tt0 -150.5 153.37 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 110' ' ' ALA . 6.7 p -116.47 171.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.635 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 136.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 47.81 66.26 2.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.81 0.338 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -46.07 -37.06 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.5 m-85 -124.73 84.91 57.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.694 0.759 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 53.7 Cg_endo -69.74 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.93 14.26 31.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.07 134.3 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.86 110.3 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 40' ' ' PHE . 19.9 mt -99.56 142.19 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -120.99 129.19 53.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.82 125.54 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 20' ' ' GLU . 14.6 t -59.19 168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.634 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 12.9 mt-10 -96.33 -70.61 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 -53.25 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HB2' HG11 ' A' ' 19' ' ' VAL . 33.4 mmt-85 -38.53 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.483 ' HE1' ' H ' ' A' ' 19' ' ' VAL . 2.9 mpp? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH2' ' HG2' ' A' ' 20' ' ' GLU . 15.1 ttm180 -69.55 -60.81 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.0 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -41.2 -57.37 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.25 -51.55 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.759 HG23 HG11 ' A' ' 42' ' ' VAL . 92.4 m -37.68 -49.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.6 -48.55 10.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.717 HD23 HD13 ' A' ' 93' ' ' LEU . 16.4 tp -49.1 -55.79 11.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.24 -62.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.598 ' HG3' HG23 ' A' ' 42' ' ' VAL . 10.8 mtp85 -45.02 -36.56 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -69.76 -37.6 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HG3' HD23 ' A' ' 93' ' ' LEU . 35.5 mmtt -71.28 -57.55 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.33 33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.613 ' HB3' HD12 ' A' ' 16' ' ' ILE . 3.5 m-85 -129.52 118.18 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 12' ' ' PRO . 6.1 ptp180 -66.82 139.55 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.759 HG11 HG23 ' A' ' 32' ' ' THR . 48.5 t -110.89 119.14 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD13 ' OG ' ' A' ' 47' ' ' SER . 63.2 mt -77.8 137.71 38.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.68 -50.21 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.11 170.76 10.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 m -59.56 114.62 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.479 ' OG ' HD13 ' A' ' 43' ' ' LEU . 80.9 p -134.53 151.21 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 p -50.86 -32.13 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.715 ' O ' HG23 ' A' ' 51' ' ' THR . 3.8 mm-40 -50.29 -42.73 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.03 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 49' ' ' GLU . 41.4 p -103.73 -33.07 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -137.01 129.81 30.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.76 152.21 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.99 139.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.1 mtt -144.91 118.28 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HG3' HG21 ' A' ' 86' ' ' ILE . 25.3 tt0 -96.74 143.33 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 52.37 46.53 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.7 m -129.52 150.55 50.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.9 t -88.8 157.98 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.67 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.2 pt-20 -69.01 -41.2 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.4 tp10 -53.37 -50.04 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.43 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.1 t -48.66 -38.13 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -47.76 76.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.494 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t90 -63.75 -22.4 66.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 81' ' ' PRO . 3.9 tp-100 -82.37 -54.17 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -41.03 -44.95 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -46.6 -40.79 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 12.6 mtp-105 -72.85 -52.25 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.32 -35.14 36.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.19 8.05 23.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -86.29 145.55 40.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 162.63 41.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.396 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.63 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.57 -36.69 3.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.46 125.88 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 80' ' ' PRO . 61.7 m -84.49 137.26 39.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.6 Cg_endo -69.8 132.61 23.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HG2' ' NE2' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 156.29 63.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.48 124.98 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.3 mt -87.52 98.16 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.503 ' O ' HD11 ' A' ' 107' ' ' LEU . 46.1 mt -100.5 171.17 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.54 ' HB3' HD21 ' A' ' 107' ' ' LEU . 7.1 p30 -106.35 162.37 13.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.714 HG21 ' HG3' ' A' ' 56' ' ' GLU . 8.0 tp -51.9 -27.03 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -59.29 -33.91 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.435 ' CG ' HD13 ' A' ' 84' ' ' LEU . 83.8 t90 -69.02 -54.16 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.05 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -39.11 -58.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -50.55 -45.48 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' GLY . 33.3 m -59.8 -56.06 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.717 HD13 HD23 ' A' ' 34' ' ' LEU . 12.9 mt -51.42 -44.81 62.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -16.69 74.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 -13.5 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . . . 77.79 -12.9 14.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -130.7 151.59 79.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.79 108.25 2.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.8 m -71.01 151.24 94.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.7 Cg_endo -69.78 114.84 3.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' PRO . 79.8 t -34.48 143.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.13 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.21 -37.89 88.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -73.14 -37.3 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -57.92 -57.19 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -42.31 117.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 85' ' ' ASP . 9.6 mt -98.43 98.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -151.52 156.45 40.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.593 HG22 ' N ' ' A' ' 110' ' ' ALA . 10.0 p -126.61 167.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.593 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -173.07 109.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.84 67.02 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.75 0.31 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -48.66 -46.09 39.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.603 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 37.8 m-85 -118.97 84.34 25.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.9 26.47 19.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -142.9 124.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -122.79 116.21 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.6 mt -107.56 137.29 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CD2' ' NH2' ' A' ' 70' ' ' ARG . 45.5 t80 -115.65 126.91 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.7 mt -100.84 127.57 47.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 22' ' ' ARG . 4.6 t -75.22 157.87 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.611 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mm-40 -87.97 -69.1 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.73 -51.75 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' HB2' HG11 ' A' ' 19' ' ' VAL . 36.6 mmt-85 -51.7 -56.05 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.822 0.344 . . . . 0.0 110.861 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ARG . 4.2 tmt_? -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.37 66.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -41.41 -60.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 89' ' ' LEU . 65.9 mt -65.28 -46.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 98.8 m -35.33 -55.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.48 -41.88 57.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.616 HD23 HD13 ' A' ' 93' ' ' LEU . 35.0 tp -52.66 -54.04 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.9 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -38.44 -39.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -66.64 -44.76 81.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' ALA . 36.0 mmtt -65.89 -50.59 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 35.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.724 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 21.3 m-85 -126.79 127.05 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -79.44 113.6 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.4 133.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 15' ' ' ALA . 33.6 mt -86.44 142.41 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.48 -57.33 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.05 160.1 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -48.16 115.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -142.77 153.7 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -45.87 -43.55 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.613 ' O ' HG23 ' A' ' 51' ' ' THR . 29.2 mm-40 -39.24 -44.62 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.92 118.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 49' ' ' GLU . 17.2 p -121.8 -27.84 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB3' HD12 ' A' ' 84' ' ' LEU . 22.3 m80 -137.67 116.0 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.57 125.44 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 89' ' ' LEU . 98.0 t -100.19 123.29 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.8 mtt -127.29 129.89 48.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -99.69 143.3 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 46.0 50.34 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -125.16 146.21 49.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 m -86.83 152.4 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.47 -46.79 48.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.9 -44.52 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.88 -50.48 60.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.9 -60.12 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.7 t -47.89 -44.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -53.25 -57.89 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -52.11 -38.24 56.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.424 HE21 HD21 ' A' ' 83' ' ' LEU . 7.4 tp-100 -61.17 -41.8 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -45.29 -48.88 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.2 mmt180 -43.91 -55.14 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.404 ' NH2' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mtt180 -54.44 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 mmt -44.47 -23.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -77.55 -39.39 46.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.56 19.8 18.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.91 152.71 38.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.45 56.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 150.49 68.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.31 -40.89 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -50.42 125.43 12.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' HD2' ' A' ' 80' ' ' PRO . 91.1 m -88.99 132.79 36.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 0.0 111.077 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.2 Cg_endo -69.73 146.28 59.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.47 56.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.42 115.64 17.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD21 HE21 ' A' ' 67' ' ' GLN . 52.3 mt -69.1 98.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' A' ' 52' ' ' HIS . 48.5 mt -99.02 172.71 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.422 ' HB3' HD21 ' A' ' 107' ' ' LEU . 50.0 p30 -105.58 150.36 25.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.68 HD13 HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -45.48 -44.58 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.505 ' N ' HG23 ' A' ' 86' ' ' ILE . 32.8 t -42.93 -46.52 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.497 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 62.9 t90 -56.99 -36.71 70.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 31' ' ' LEU . 20.4 tp -65.34 -55.22 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.68 HG23 HD13 ' A' ' 86' ' ' ILE . 43.0 p -56.95 -15.65 5.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.16 -35.75 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.6 m -75.46 -42.52 52.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 HD23 ' A' ' 34' ' ' LEU . 9.7 mt -60.28 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.72 -15.98 67.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.72 -11.95 31.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -136.74 152.07 73.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.603 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.79 108.31 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 m -67.55 151.95 96.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.1 t -41.43 134.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -102.11 177.18 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.51 -19.75 60.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -92.68 -25.99 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 36.7 m170 -69.13 -37.85 78.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -57.0 106.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 85' ' ' ASP . 37.7 mt -89.49 109.97 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -164.74 155.19 14.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.62 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.3 p -126.02 170.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.62 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 109.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.87 63.83 2.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 8.5 mmt180 -45.71 -47.49 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 53.5 m-85 -134.77 89.09 26.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 2.97 3.02 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.61 0.45 32.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -125.79 121.18 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.77 120.27 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 143.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 11.8 t80 -121.79 136.34 54.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 mt -105.92 123.84 48.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 47.7 t -77.77 117.72 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 3.4 mm-40 -44.32 -60.27 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.77 166.43 27.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? 40.97 48.92 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.3 tpp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -52.0 -57.29 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.36 -50.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -40.2 -48.17 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.403 HD22 HD23 ' A' ' 89' ' ' LEU . 23.0 mt -71.22 -47.45 57.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.566 HG23 HG11 ' A' ' 42' ' ' VAL . 90.1 m -44.32 -53.53 6.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.32 -44.71 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 HD23 HD13 ' A' ' 93' ' ' LEU . 14.3 tp -50.84 -60.81 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -43.6 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.48 -49.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -59.15 -41.21 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.64 ' HG3' HD23 ' A' ' 93' ' ' LEU . 35.1 mmtm -64.88 -49.79 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 143.24 33.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.416 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 20.5 m-85 -123.78 135.77 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -81.95 109.45 16.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.566 HG11 HG23 ' A' ' 32' ' ' THR . 73.4 t -92.56 130.19 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.17 146.05 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.3 -46.68 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . . . -133.23 -71.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -165.54 150.9 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 49' ' ' GLU . 2.0 m -174.06 153.8 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -44.05 -22.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 51' ' ' THR . 24.7 mm-40 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 49' ' ' GLU . 70.3 p -93.02 -20.97 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 14.8 m80 -152.76 135.46 15.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 81' ' ' PRO . 89.2 t -112.91 126.06 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 89' ' ' LEU . 76.2 t -96.84 129.75 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.6 mtt -128.41 122.16 30.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' GLU . 17.1 mt-10 -91.53 155.37 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' GLU . 18.8 mm-40 35.92 37.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.4 m -112.65 140.06 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -75.75 179.53 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -76.17 -43.05 44.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.13 -42.45 80.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -49.81 -57.58 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.29 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 6.2 p -45.47 -39.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -69.48 -21.1 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.931 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.1 tt0 -68.95 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.77 -36.38 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -53.53 -34.94 60.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -60.43 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.5 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 5.8 mmt -49.47 -30.92 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.79 10.99 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 71' ' ' MET . . . -94.6 146.02 30.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 166.05 28.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.25 69.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.39 -41.48 2.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.26 126.35 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.682 HG23 ' HD2' ' A' ' 80' ' ' PRO . 92.0 m -84.24 139.11 39.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 111.163 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.5 Cg_endo -69.83 145.53 57.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.5 Cg_endo -69.71 160.31 50.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . . . -91.63 106.32 18.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.931 HD11 ' HB2' ' A' ' 67' ' ' GLN . 51.0 mt -67.27 115.39 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.684 HD22 HG21 ' A' ' 101' ' ' VAL . 15.8 mt -123.73 173.58 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -105.65 154.43 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.39 -47.85 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 86' ' ' ILE . 5.9 t -40.28 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -58.22 -42.05 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 54' ' ' VAL . 15.0 tp -59.45 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.806 ' HA ' HD12 ' A' ' 93' ' ' LEU . 68.1 p -47.74 -38.53 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.64 -40.05 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.1 m -71.22 -40.41 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 90' ' ' THR . 6.7 mt -61.71 -54.73 38.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.62 -16.18 49.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.11 -15.87 18.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.95 -9.6 30.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -135.36 151.81 75.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.85 108.35 2.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.59 151.92 96.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.684 HG21 HD22 ' A' ' 84' ' ' LEU . 1.9 p -38.55 143.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.87 176.37 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -61.88 -35.97 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -67.78 -19.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -83.52 -50.94 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -42.8 159.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -129.45 102.95 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.442 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 45.9 tt0 -151.31 161.13 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 110' ' ' ALA . 3.9 p -128.98 170.86 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.617 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 134.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.63 73.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -44.77 -53.17 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.6 m-85 -122.03 89.85 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -45.28 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.15 -37.0 45.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 52' ' ' HIS . 85.5 t -82.47 105.66 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -112.67 122.69 48.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.6 mt -108.2 135.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -114.55 123.02 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.51 119.94 28.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 79.2 t -70.58 107.27 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 21.7 mt-10 -39.46 -60.11 1.38 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.0 Cg_endo -69.74 147.46 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 55.99 51.09 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 tpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.779 0.324 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -41.95 -55.43 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.62 -51.9 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 14.6 t80 -39.27 -41.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.32 -49.42 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -39.51 -55.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.31 -45.14 56.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.689 HD23 HD13 ' A' ' 93' ' ' LEU . 12.6 tp -53.4 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.5 -62.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HG3' HG23 ' A' ' 42' ' ' VAL . 20.3 mtp180 -41.17 -45.15 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -63.42 -42.46 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HG3' HD23 ' A' ' 93' ' ' LEU . 49.9 mmtt -62.64 -48.21 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.08 31.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 10.1 m-85 -121.59 123.71 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -72.35 117.41 13.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' HG3' ' A' ' 36' ' ' ARG . 95.3 t -89.12 122.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 HD11 ' HB1' ' A' ' 15' ' ' ALA . 27.5 mt -86.5 135.1 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.54 -62.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.77 -74.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -171.36 119.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 m -125.38 37.14 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 t 48.77 29.48 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.637 ' O ' HG23 ' A' ' 51' ' ' THR . 11.6 mt-10 -114.9 -29.94 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.63 120.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' GLU . 19.3 p -126.47 -29.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' HG13 ' A' ' 14' ' ' VAL . 4.5 m80 -132.41 112.15 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -93.95 133.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.562 HG13 ' HA ' ' A' ' 86' ' ' ILE . 46.8 t -104.11 131.86 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.846 ' SD ' HG21 ' A' ' 58' ' ' THR . 22.3 mtt -134.36 144.07 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLU . 18.6 mt-10 -109.83 144.12 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . 7.1 pt-20 34.32 39.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.846 HG21 ' SD ' ' A' ' 55' ' ' MET . 52.7 m -104.16 137.5 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -69.87 170.53 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -69.32 -38.73 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.0 -41.19 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.58 -33.71 23.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.78 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 10.1 p -49.18 -29.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 t -82.04 -37.12 26.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.37 -25.1 64.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -79.32 -28.73 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 5.5 mm-40 -53.43 -42.44 67.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -49.88 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.8 mtp180 -58.78 -62.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.7 mmt -41.01 -32.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.6 -52.67 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.79 30.23 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -99.83 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.548 0.689 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.44 63.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 125.84 12.58 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.34 -35.93 4.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.69 133.59 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 80' ' ' PRO . 52.8 m -91.84 137.77 25.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.83 115.08 3.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 142.43 47.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.31 110.21 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 115.26 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.621 ' O ' HD11 ' A' ' 107' ' ' LEU . 27.9 mt -115.55 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -105.78 150.19 25.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.562 ' HA ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -44.04 -42.86 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 86' ' ' ILE . 11.0 t -41.05 -44.22 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.417 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 76.2 t90 -55.77 -54.27 46.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.0 tp -47.31 -64.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.497 HG23 HD13 ' A' ' 86' ' ' ILE . 78.4 p -44.82 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -63.22 -40.72 98.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 m -65.63 -52.41 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.689 HD13 HD23 ' A' ' 34' ' ' LEU . 12.8 mt -54.52 -53.28 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.23 -16.21 33.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.92 -13.08 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.81 17.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.58 152.46 77.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.82 108.89 2.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 m -73.08 152.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.64 19.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 84' ' ' LEU . 60.3 t -56.05 146.52 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 105' ' ' HIS . 11.7 pt-20 -127.46 173.91 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.58 -51.32 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -56.44 -40.61 75.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 102' ' ' GLU . 32.9 m170 -58.31 -51.5 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -48.03 151.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.621 HD11 ' O ' ' A' ' 84' ' ' LEU . 4.9 mt -133.75 111.74 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.465 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 6.3 tt0 -160.31 164.5 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.574 HG22 ' H ' ' A' ' 110' ' ' ALA . 6.0 p -134.88 168.52 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.574 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 137.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.92 64.95 3.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.744 0.307 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -73.35 -42.21 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.588 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.7 m-85 -117.39 83.04 15.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.79 28.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.91 29.98 5.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.72 HG13 ' CE1' ' A' ' 52' ' ' HIS . 97.2 t -149.87 117.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.33 117.29 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -102.8 139.7 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -119.56 145.28 46.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.71 HD23 ' HB ' ' A' ' 54' ' ' VAL . 6.0 mt -123.55 128.98 50.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.967 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 23' ' ' MET . 47.5 t -56.02 151.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.59 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.8 mp0 -84.81 -67.54 0.18 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.8 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.691 ' NH1' HG21 ' A' ' 58' ' ' THR . 4.1 ttm180 -25.72 -67.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.468 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 27.9 tpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -50.39 -52.99 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.97 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -41.16 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD22 HD23 ' A' ' 89' ' ' LEU . 21.7 mt -64.23 -48.8 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.505 ' CG2' ' NH2' ' A' ' 36' ' ' ARG . 79.3 m -36.8 -61.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.41 98.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD23 HD13 ' A' ' 93' ' ' LEU . 19.8 tp -54.3 -55.26 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.01 -52.66 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.505 ' NH2' ' CG2' ' A' ' 32' ' ' THR . 77.6 mtt180 -45.36 -40.25 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -67.56 -42.14 83.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HG3' HD23 ' A' ' 93' ' ' LEU . 68.3 mmtt -64.3 -44.41 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.57 30.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 62.2 m-85 -109.42 128.16 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -78.92 109.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 t -95.86 135.6 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -94.81 144.83 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.53 -47.61 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.48 168.71 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -77.11 115.69 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -142.25 163.84 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.0 p -49.88 -42.02 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.0 -39.39 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.18 105.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -94.22 -29.86 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.72 ' CE1' HG13 ' A' ' 14' ' ' VAL . 1.9 m80 -134.54 156.55 48.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 126.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.71 ' HB ' HD23 ' A' ' 18' ' ' LEU . 35.1 t -95.81 134.94 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.3 mtt -142.37 142.03 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.43 156.41 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 39.69 47.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.691 HG21 ' NH1' ' A' ' 22' ' ' ARG . 86.1 m -126.54 135.31 51.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.5 p -76.01 163.42 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -63.26 -37.0 85.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.12 -42.42 60.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.37 -60.77 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.712 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -41.85 -58.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 46.2 t -50.37 -29.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -76.15 -35.92 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -72.89 -27.2 61.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.48 ' HB3' HD11 ' A' ' 83' ' ' LEU . 4.5 pt20 -84.99 -24.3 28.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.13 -53.12 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -39.88 -42.31 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.5 mtp85 -67.82 -60.41 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.9 mmm -44.25 -33.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -55.16 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.49 27.19 9.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -75.03 154.33 86.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 162.69 41.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 126.47 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.02 11.97 66.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.1 t -73.9 157.44 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 80' ' ' PRO . 95.9 m -117.36 139.06 25.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.8 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 155.08 66.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.62 109.12 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.712 HD13 ' HB1' ' A' ' 63' ' ' ALA . 14.7 mt -74.85 99.09 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 88' ' ' TRP . 39.1 mt -97.22 167.04 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -105.98 157.1 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 tp -44.42 -33.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -51.88 -41.5 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.412 ' CD2' HD13 ' A' ' 84' ' ' LEU . 69.7 t90 -64.39 -50.95 65.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.477 HD23 HD22 ' A' ' 31' ' ' LEU . 20.4 tp -52.54 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 p -46.33 -44.7 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.87 -31.84 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -77.29 -47.35 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.536 HD23 ' HG3' ' A' ' 38' ' ' LYS . 19.1 mt -59.47 -47.02 87.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.24 -14.57 68.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.2 -14.52 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.6 -10.4 17.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 21.4 pt20 -132.65 152.25 79.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.588 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.81 108.6 2.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.3 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.16 152.66 92.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.16 9.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -47.12 146.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 5.0 pt-20 -131.16 178.05 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 m -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -47.08 -41.94 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.478 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 56.0 m170 -60.45 -49.83 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -50.07 120.37 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.37 75.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.606 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 16.2 tt0 -130.91 158.81 39.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.61 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.3 p -120.83 170.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.61 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.14 124.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.32 67.04 2.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -57.85 -39.89 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 9.4 m-85 -131.71 81.37 63.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.83 27.29 19.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.3 t -148.1 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.99 113.91 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' A' ' 40' ' ' PHE . 4.0 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -127.07 124.72 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.01 121.66 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 20' ' ' GLU . 89.9 t -71.01 94.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.2 mt-10 -33.49 -60.17 0.44 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.75 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 74.65 36.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.5 tpp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -56.75 -54.48 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.7 t80 -40.86 -40.97 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -89.7 -45.99 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.441 HG23 HG11 ' A' ' 42' ' ' VAL . 98.2 m -38.1 -66.26 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.66 81.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.0 -60.8 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.27 -47.39 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -45.31 -52.01 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -59.31 -32.21 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.616 ' HG3' HD23 ' A' ' 93' ' ' LEU . 55.1 mmtt -72.99 -49.15 30.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.62 32.83 0.15 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.658 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 35.3 m-85 -119.47 116.29 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -71.27 110.77 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.441 HG11 HG23 ' A' ' 32' ' ' THR . 39.4 t -90.92 127.27 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -81.43 129.35 34.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.65 -48.77 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.49 174.66 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.38 108.05 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -128.38 168.43 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -60.62 -36.06 77.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.74 ' O ' HG23 ' A' ' 51' ' ' THR . 39.4 mt-10 -44.41 -37.1 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.77 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 49' ' ' GLU . 38.5 p -108.13 -29.43 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -136.53 113.66 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.44 HG11 ' CZ3' ' A' ' 66' ' ' TRP . 12.2 t -94.06 130.38 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.36 128.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.423 ' SD ' HG21 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -123.96 148.08 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.88 145.46 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 42.44 41.29 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 59' ' ' SER . 25.1 m -115.26 158.16 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 58' ' ' THR . 17.6 m -92.13 165.67 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.3 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.69 -44.87 63.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -49.33 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.31 -55.37 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 60.6 t -48.68 -39.26 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -58.53 -57.16 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.48 ' CZ2' ' HD2' ' A' ' 70' ' ' ARG . 52.9 t90 -53.25 -31.25 42.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 83' ' ' LEU . 6.9 tp-100 -71.5 -39.21 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.48 -40.5 96.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.88 -29.64 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 4.6 mtp-105 -82.38 -61.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmt -40.13 -31.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.21 -45.43 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -101.44 21.86 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.62 146.81 33.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 160.72 48.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.28 37.41 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.63 -28.93 9.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.84 155.32 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -116.98 130.46 24.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 113.64 3.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.56 126.31 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 67' ' ' GLN . 56.9 mt -78.8 101.36 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -118.26 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 42.2 p30 -106.16 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.02 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -52.9 -29.18 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -72.53 -48.37 40.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.09 -56.12 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.473 ' HA ' HD12 ' A' ' 93' ' ' LEU . 5.2 p -43.39 -34.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.18 -45.92 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 m -60.84 -29.49 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.616 HD23 ' HG3' ' A' ' 38' ' ' LYS . 19.1 mt -73.59 -50.96 18.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.35 -10.35 59.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.75 -16.7 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.17 47.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -136.72 151.5 72.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.426 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.6 Cg_endo -69.7 108.33 2.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.381 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.58 151.66 91.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 130.59 19.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 102' ' ' GLU . 78.1 t -37.94 154.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 105' ' ' HIS . 72.0 mt-10 -135.77 158.91 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 67.0 m -50.79 -31.46 16.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -75.73 -43.32 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 102' ' ' GLU . 13.8 m170 -60.36 -49.12 78.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -43.78 123.77 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.89 67.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -123.94 165.24 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.621 HG22 ' H ' ' A' ' 110' ' ' ALA . 7.5 p -134.37 170.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.621 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.08 113.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.94 64.82 2.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.915 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.781 0.324 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.57 -43.32 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 11.5 m-85 -127.45 87.05 57.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.84 5.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.13 51.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.59 HG13 ' CE1' ' A' ' 52' ' ' HIS . 98.1 t -95.73 110.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.76 113.03 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 40' ' ' PHE . 19.5 mt -100.69 135.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 4.0 t80 -127.86 129.57 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -95.38 165.51 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 20' ' ' GLU . 10.6 t -93.16 169.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.6 mm-40 -96.03 -70.55 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.664 0.745 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.73 -54.13 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 1.6 mmp_? -35.19 -53.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.446 ' HE1' ' H ' ' A' ' 19' ' ' VAL . 3.2 mpp? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' HD13 ' A' ' 18' ' ' LEU . 5.1 mmp_? -60.99 -66.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ARG . . . -35.95 -38.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -54.53 -54.15 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LEU . 12.0 mt -76.22 -45.77 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.599 HG23 HG11 ' A' ' 42' ' ' VAL . 99.2 m -34.14 -46.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.56 -33.4 31.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 24.1 tp -60.94 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -51.67 -44.04 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -62.46 -24.38 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -82.82 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.12 34.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.582 ' HB3' HD12 ' A' ' 16' ' ' ILE . 16.0 m-85 -125.59 124.0 40.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -73.41 113.55 10.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG11 HG23 ' A' ' 32' ' ' THR . 88.7 t -93.53 125.84 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.05 129.62 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.36 -55.53 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.93 145.15 38.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.3 p -48.32 129.56 15.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -152.38 165.57 34.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.9 m -52.81 -49.19 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' THR . 5.9 mt-10 -35.98 -44.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.56 106.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.9 p -106.54 -28.65 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.59 ' CE1' HG13 ' A' ' 14' ' ' VAL . 2.6 m80 -135.13 130.1 34.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' HB2' ' A' ' 81' ' ' PRO . 61.3 t -111.89 128.24 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -104.48 139.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.3 mtt -142.37 154.81 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -123.89 151.62 43.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 43.68 35.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -111.16 140.38 45.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -79.02 163.91 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.87 78.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.18 -30.28 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -57.76 -41.43 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.814 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -60.12 -51.27 70.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -52.88 -31.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.2 -28.26 48.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.425 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 14.3 t90 -80.94 -23.41 38.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.4 -31.96 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.02 -43.33 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.9 mmt180 -56.57 -30.59 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 5.2 mmm180 -63.18 -71.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.517 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 mmt -45.8 -25.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -64.58 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.39 9.53 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 71' ' ' MET . . . -87.06 156.59 54.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.2 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.18 10.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.222 . . . . 0.0 112.375 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.49 -38.59 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.1 130.77 48.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 80' ' ' PRO . 99.8 m -80.53 138.85 51.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.171 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.73 142.1 47.12 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.542 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.5 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.28 128.15 35.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.814 HD13 ' HB1' ' A' ' 63' ' ' ALA . 35.2 mt -84.23 94.37 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.627 HD22 HG21 ' A' ' 101' ' ' VAL . 7.7 mt -99.71 171.34 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -105.62 152.94 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 tp -47.19 -25.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.5 m -53.42 -34.93 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 66.7 t90 -75.99 -41.41 51.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.16 -61.68 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.696 ' HA ' HD12 ' A' ' 93' ' ' LEU . 45.9 p -44.09 -55.17 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.87 -49.14 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.6 m -57.97 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 90' ' ' THR . 12.7 mt -64.94 -41.89 95.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.25 -10.68 84.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.97 -14.88 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.27 -10.09 17.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -133.37 152.35 79.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.77 108.1 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.412 HG23 ' NE1' ' A' ' 88' ' ' TRP . 15.3 m -71.07 153.3 94.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.627 HG21 HD22 ' A' ' 84' ' ' LEU . 2.2 p -37.63 133.75 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -104.06 170.76 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.49 -39.54 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -58.9 -40.59 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 6.8 m170 -62.4 -37.52 86.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -62.09 144.08 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.83 103.02 10.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -148.71 154.4 39.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.618 HG22 ' N ' ' A' ' 110' ' ' ALA . 13.7 p -123.89 166.68 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.618 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -172.15 110.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.35 65.71 2.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.282 . . . . 0.0 112.36 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.06 -45.17 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.6 m-85 -129.73 84.63 60.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -32.32 3.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.86 HG23 ' CE1' ' A' ' 52' ' ' HIS . 2.4 p -98.08 110.95 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.863 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.64 110.55 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mt -89.31 134.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 3.1 t80 -120.74 124.69 45.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.24 130.87 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' GLU . 66.1 t -86.82 102.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 6.2 mt-10 -37.7 -60.24 0.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.74 144.99 55.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 60.13 42.3 15.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.9 ttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.8 0.333 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.6 tmm_? -36.78 -64.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.43 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -40.06 -43.89 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.83 -44.81 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.719 ' O ' HG21 ' A' ' 42' ' ' VAL . 20.8 m -41.12 -60.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.85 -39.02 94.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD23 HD13 ' A' ' 93' ' ' LEU . 9.5 tp -53.56 -59.08 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -46.77 -70.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptp180 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 45.4 t -65.52 -40.49 93.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 37.5 mmtt -69.58 -41.84 75.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.81 31.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 18.0 m-85 -126.46 126.1 43.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -65.26 113.16 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 32' ' ' THR . 30.3 t -90.92 119.32 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.863 HD11 ' HB1' ' A' ' 15' ' ' ALA . 5.9 mt -92.25 144.36 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.49 -33.61 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.72 158.29 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.05 109.3 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -128.17 43.77 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m 54.84 28.95 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.32 -36.77 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.09 107.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -106.67 -33.01 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.86 ' CE1' HG23 ' A' ' 14' ' ' VAL . 12.9 m80 -131.18 116.59 17.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -94.65 138.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.41 134.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mtt -140.9 145.84 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -112.82 144.46 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 44.54 51.48 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -120.72 144.7 48.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -82.59 156.22 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.76 -48.99 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.23 -42.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.76 -59.65 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -43.11 -60.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.8 t -39.52 -45.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -50.5 -53.67 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -65.59 -34.18 77.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 83' ' ' LEU . 29.1 tt0 -58.19 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.6 mm-40 -47.46 -50.67 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' GLU . 22.2 mmt180 -34.54 -46.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.93 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.03 -29.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.32 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.89 31.22 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.55 152.33 46.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.72 23.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.52 35.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.05 -41.86 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.7 t -51.51 123.6 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.74 153.87 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.37 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 158.45 56.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.22 113.1 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' A' ' 63' ' ' ALA . 87.2 mt -70.72 116.53 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.6 mt -121.73 166.89 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.475 ' HB3' HD21 ' A' ' 107' ' ' LEU . 32.6 p30 -107.15 155.46 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.748 HG13 HG23 ' A' ' 90' ' ' THR . 9.5 tp -39.24 -42.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.473 ' N ' HG23 ' A' ' 86' ' ' ILE . 39.6 t -37.94 -47.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.31 -62.77 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.53 ' HG ' HD11 ' A' ' 93' ' ' LEU . 19.8 tp -48.04 -60.45 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.748 HG23 HG13 ' A' ' 86' ' ' ILE . 30.6 p -44.01 -39.19 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.64 -53.04 14.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -53.93 -41.78 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.72 HD13 HD23 ' A' ' 34' ' ' LEU . 22.5 mt -64.99 -53.39 46.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.25 -7.26 24.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.22 -21.48 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.18 -16.31 39.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -128.15 152.54 77.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.461 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.1 Cg_endo -69.77 108.14 2.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.212 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.92 152.4 93.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' VAL . 54.1 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.393 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' PRO . 97.5 t -33.84 146.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -129.33 158.13 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.48 -45.03 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -60.77 -39.9 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.37 -53.64 40.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -44.63 133.0 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 85' ' ' ASP . 77.6 mt -116.3 97.48 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -156.69 151.27 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.618 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.8 p -115.77 169.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.07 134.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.41 65.54 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.771 0.319 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -48.9 -42.8 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.507 ' CD2' ' HD3' ' A' ' 98' ' ' PRO . 14.1 m-85 -120.25 83.75 33.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.81 18.85 56.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.4 t -143.56 111.13 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.99 110.15 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.9 mt -98.69 147.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.07 122.74 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -93.14 133.18 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 20' ' ' GLU . 1.8 t -72.79 169.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.641 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.6 mt-10 -104.57 -71.41 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.9 mmp_? -116.83 -31.45 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mmm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' NH2' HG12 ' A' ' 86' ' ' ILE . 18.1 tpt180 . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.809 0.337 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -72.77 -60.57 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.21 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 3.1 t80 -38.87 -43.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.65 -48.99 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.499 HG23 HG11 ' A' ' 42' ' ' VAL . 87.3 m -39.48 -61.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.43 99.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 HD13 ' A' ' 93' ' ' LEU . 15.0 tp -55.26 -61.05 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -43.33 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 49.8 mtt180 -37.85 -48.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t -60.32 -37.9 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ALA . 68.1 mmtt -71.22 -41.41 70.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.59 28.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.554 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 49.9 m-85 -113.98 124.42 52.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.01 117.7 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 32' ' ' THR . 61.9 t -96.89 129.66 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -93.96 142.54 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -82.83 -43.18 16.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.9 158.81 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.23 117.02 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -143.0 160.88 39.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -39.32 -44.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' THR . 16.6 mt-10 -41.22 -46.26 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.3 114.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 49' ' ' GLU . 29.8 p -121.48 -20.17 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -149.13 116.68 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 81' ' ' PRO . 97.0 t -97.16 141.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG11 HD22 ' A' ' 89' ' ' LEU . 58.0 t -115.7 128.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.71 143.02 49.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.13 137.34 46.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 47.38 51.8 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -120.58 145.35 47.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -83.26 152.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -52.64 -41.27 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.42 -27.44 56.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.38 -50.51 71.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -48.14 -55.06 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' GLN . 98.4 t -45.88 -56.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -45.71 -43.0 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.534 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 19.4 t90 -76.88 -20.63 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.721 ' HB2' HD11 ' A' ' 83' ' ' LEU . 44.6 tt0 -78.84 -32.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.17 -40.37 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 4.4 mmp_? -50.6 -36.36 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.3 mmm180 -60.1 -70.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 mmt -44.26 -24.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -73.05 -44.05 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.87 15.51 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -102.59 154.16 37.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 155.68 65.36 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.28 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.9 -32.62 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.79 137.9 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -88.44 131.35 42.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.75 . . . . 0.0 111.1 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.04 63.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.534 ' HB2' HG23 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.72 157.57 60.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.03 113.13 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 67' ' ' GLN . 62.9 mt -71.76 97.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.98 170.37 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.443 ' HB2' HD21 ' A' ' 107' ' ' LEU . 14.1 t70 -105.71 158.56 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.41 HG12 ' NH2' ' A' ' 27' ' ' ARG . 7.9 tp -44.11 -35.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -47.69 -39.18 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -66.25 -51.88 53.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' HG ' HD11 ' A' ' 93' ' ' LEU . 19.2 tp -54.68 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -39.58 -47.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.64 -45.47 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 m -59.71 -50.79 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.699 HD13 HD23 ' A' ' 34' ' ' LEU . 14.3 mt -57.7 -48.33 79.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.75 -22.51 70.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.13 22.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.78 -16.26 12.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.65 151.97 76.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.73 108.66 2.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.87 151.39 90.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -40.58 147.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -120.12 169.5 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.35 -11.81 60.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -100.67 -25.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -69.72 -47.61 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 14.8 mtp-105 -47.61 146.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 85' ' ' ASP . 23.1 mt -121.93 85.42 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.532 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 22.2 tt0 -132.86 164.65 26.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 110' ' ' ALA . 5.3 p -133.62 168.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.577 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 127.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.88 61.88 6.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.762 0.315 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -62.87 -47.54 82.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.2 m-85 -116.44 82.61 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.45 14.83 60.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' CE1' ' A' ' 52' ' ' HIS . 57.6 t -135.03 120.17 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.16 109.95 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 40' ' ' PHE . 62.8 mt -99.93 131.09 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -123.81 125.97 45.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.69 135.36 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.72 HG13 ' CZ2' ' A' ' 66' ' ' TRP . 2.6 t -64.42 109.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 16.9 mt-10 -39.2 -64.13 0.54 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.594 0.711 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.72 -90.89 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' PRO . 4.1 tpm_? -35.36 148.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.16 -58.31 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.94 -52.21 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.14 -51.24 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.7 mt -69.24 -52.08 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 59.0 m -36.45 -60.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.64 -47.5 88.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 93' ' ' LEU . 12.5 tp -46.82 -59.36 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -49.04 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.1 mtt-85 -36.62 -40.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -67.17 -43.37 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ALA . 62.7 mmtt -64.55 -51.2 64.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.82 34.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 54.7 m-85 -116.12 144.42 44.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -87.97 115.72 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.4 122.94 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.51 HD11 ' HB1' ' A' ' 15' ' ' ALA . 17.2 mt -82.46 149.85 27.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -83.04 -46.0 13.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.94 177.65 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.39 87.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.0 t -100.47 155.28 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -58.39 -17.11 17.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 51' ' ' THR . 18.1 mm-40 -66.61 -36.86 83.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.42 92.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' GLU . 27.5 p -89.69 -27.27 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.68 ' CE1' HG13 ' A' ' 14' ' ' VAL . 5.0 m80 -136.56 135.92 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.19 137.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -104.46 131.12 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.6 ' HG2' HG21 ' A' ' 19' ' ' VAL . 5.2 mtt -143.24 123.33 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -109.26 148.72 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 52.35 33.57 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.3 m -114.97 131.69 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLU . 50.3 m -70.39 140.63 52.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -43.17 -38.51 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.36 -33.0 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' SER . 12.5 mm-40 -59.96 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.586 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -60.08 -52.87 63.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.55 -26.2 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -84.48 -32.82 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.72 ' CZ2' HG13 ' A' ' 19' ' ' VAL . 27.4 t90 -75.67 -25.97 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.965 ' HG2' HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -84.59 -23.93 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.5 mt-10 -57.97 -57.06 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' GLU . 21.6 mmt85 -37.89 -37.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.7 mtp-105 -70.09 -64.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.68 -19.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.96 -40.17 47.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.3 17.8 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 148.15 45.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.545 0.688 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.82 43.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.32 -17.36 48.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.77 136.9 57.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 80' ' ' PRO . 84.9 m -87.91 138.28 31.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.8 136.13 32.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.56 69.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.965 HD11 ' HG2' ' A' ' 67' ' ' GLN . 5.1 mt -71.18 127.78 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 83' ' ' LEU . 19.0 mt -138.99 172.89 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -108.46 159.22 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.436 HG13 HG23 ' A' ' 90' ' ' THR . 8.2 tp -46.04 -36.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -45.55 -38.26 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.19 -60.93 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -47.04 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.436 HG23 HG13 ' A' ' 86' ' ' ILE . 36.2 p -46.24 -50.95 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.73 -33.68 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -75.95 -35.44 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.558 HD13 HD23 ' A' ' 34' ' ' LEU . 64.7 mt -70.09 -49.64 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -22.41 69.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.17 -15.37 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.15 -17.89 8.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -125.07 152.34 70.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.412 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.75 108.13 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.1 m -71.3 152.26 94.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.4 16.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.39 134.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 4.3 pt-20 -116.33 179.02 4.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.63 -52.63 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -56.8 -26.74 58.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.423 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 39.2 m170 -74.82 -41.22 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -58.3 126.9 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.618 HD11 ' O ' ' A' ' 84' ' ' LEU . 11.3 mt -107.49 90.54 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 13.9 tt0 -141.57 157.53 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.2 p -121.15 169.36 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.587 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.12 120.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.52 67.22 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.932 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.795 0.331 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -47.92 -40.17 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.8 m-85 -132.14 87.09 44.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -11.26 30.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.48 32.91 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -153.41 122.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 49' ' ' GLU . . . -127.08 126.48 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.1 mt -113.04 140.96 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -117.95 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.93 124.28 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 95.2 t -76.14 105.66 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 5.9 mp0 -38.09 -60.07 1.07 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.72 168.58 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 41.84 40.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.7 tpp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' ARG . 3.0 tpm_? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.819 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' ARG . 55.1 mtm180 -36.21 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.57 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -38.79 -50.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.34 -51.32 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 m -39.5 -48.45 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.23 -41.87 12.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.783 HD23 HD13 ' A' ' 93' ' ' LEU . 15.8 tp -50.79 -52.41 41.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -57.95 -57.05 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -44.34 -44.23 8.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -63.64 -40.45 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HG3' HD23 ' A' ' 93' ' ' LEU . 73.9 mmtt -68.43 -57.22 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.51 35.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.52 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 21.4 m-85 -123.49 122.9 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 136.03 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.22 123.79 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.1 mt -86.79 138.12 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.86 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.85 173.42 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.5 p -67.71 117.16 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -144.71 166.29 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -46.39 -45.49 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.6 mp0 -44.58 -35.48 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 113.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -38.02 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -125.68 113.79 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -95.89 128.24 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 HD22 ' A' ' 89' ' ' LEU . 58.7 t -93.65 129.24 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.8 mtt -128.53 111.14 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.74 130.71 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 60.65 47.01 8.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.5 m -124.94 139.94 53.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.79 174.69 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.65 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.72 -37.0 50.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -50.71 -44.03 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.978 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -59.41 -51.17 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 57.2 t -53.98 -30.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 t -82.13 -49.95 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -59.66 -28.26 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.6 pt20 -78.44 -34.48 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 4.4 mm-40 -64.19 -42.15 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -48.72 -44.06 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' ALA . 14.0 mtp-105 -64.42 -58.23 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -33.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.33 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.41 22.76 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -97.68 154.23 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.02 47.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.64 21.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.94 9.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.6 t -60.86 123.75 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.83 153.86 39.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.18 10.83 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.8 69.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.0 108.0 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.978 HD13 ' HB1' ' A' ' 63' ' ' ALA . 25.7 mt -67.22 116.49 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 107' ' ' LEU . 81.4 mt -120.39 170.33 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.67 151.25 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.653 HD13 HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -48.72 -40.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 86' ' ' ILE . 11.8 t -45.04 -40.18 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -62.98 -45.72 91.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 93' ' ' LEU . 13.4 tp -54.72 -55.99 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.653 HG23 HD13 ' A' ' 86' ' ' ILE . 34.9 p -56.33 -33.27 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -41.56 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 m -68.88 -43.32 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.783 HD13 HD23 ' A' ' 34' ' ' LEU . 6.1 mt -62.88 -51.08 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.71 -15.29 47.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.88 -14.55 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.31 -13.47 33.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -133.67 151.59 77.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.589 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.78 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.37 152.53 92.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.35 15.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.8 t -51.01 132.42 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -114.15 164.98 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 p -51.85 -37.28 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -69.38 -39.83 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.47 -49.62 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -45.92 138.14 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 84' ' ' LEU . 55.2 mt -113.57 93.51 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -149.99 151.94 34.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 110' ' ' ALA . 5.9 p -113.26 171.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.633 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.1 128.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.25 67.63 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.232 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.368 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 mmt180 -40.88 -49.94 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.4 m-85 -125.96 90.62 49.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.13 25.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.29 26.73 5.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -148.54 113.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -119.34 120.52 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.16 128.77 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -108.63 122.59 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.85 124.92 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.558 HG12 ' HG2' ' A' ' 21' ' ' PRO . 16.9 t -77.22 97.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -41.81 -54.1 7.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.902 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.5 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 63.13 52.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 tpp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.802 0.334 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.5 tmm_? -35.5 -64.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -39.6 -43.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.84 -49.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.6 m -39.17 -55.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.72 82.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.907 HD23 HD13 ' A' ' 93' ' ' LEU . 11.3 tp -54.5 -58.8 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -46.95 -60.99 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -44.31 -44.48 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -65.55 -39.09 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -67.91 -56.68 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 146.55 33.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.487 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 16.3 m-85 -122.16 134.46 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -82.1 119.54 24.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.08 123.7 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.577 HD11 ' HB1' ' A' ' 15' ' ' ALA . 40.9 mt -88.54 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.97 -63.76 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.53 -75.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -174.63 110.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 m -110.47 24.78 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 m 60.27 27.2 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 51' ' ' THR . 7.5 mt-10 -115.18 -26.06 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.53 120.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 49' ' ' GLU . 10.3 p -123.57 -26.58 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -139.64 112.64 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 81' ' ' PRO . 98.6 t -93.37 138.71 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.594 HG13 ' HA ' ' A' ' 86' ' ' ILE . 50.4 t -105.75 120.1 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.473 ' HG2' HG21 ' A' ' 19' ' ' VAL . 19.8 mtt -119.69 155.79 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -131.6 134.4 45.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 47.28 53.05 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.8 m -133.84 135.22 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.3 m -68.43 169.12 11.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.62 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.15 -48.21 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -48.91 -35.84 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -62.71 -53.72 50.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -46.06 -52.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -50.41 -57.21 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -54.17 -37.65 64.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.587 ' HB2' HD11 ' A' ' 83' ' ' LEU . 37.8 tp60 -63.49 -50.06 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -41.35 -46.09 3.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.702 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.4 mmp_? -38.43 -60.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -47.2 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -43.16 -25.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -70.01 -47.13 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.91 24.16 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -101.71 159.85 28.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.1 Cg_endo -69.78 150.44 68.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.65 30.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.43 -43.83 2.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.0 m -54.18 117.88 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.423 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 12.4 m -76.14 135.6 69.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 111.132 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.4 Cg_endo -69.74 153.76 68.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.8 Cg_endo -69.8 172.62 12.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.82 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 63' ' ' ALA . 51.5 mt -72.52 100.49 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.552 ' O ' HD11 ' A' ' 107' ' ' LEU . 20.9 mt -111.35 175.64 5.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -105.62 153.46 21.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.594 ' HA ' HG13 ' A' ' 54' ' ' VAL . 6.8 tp -45.31 -26.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -53.06 -42.23 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.52 -53.48 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 54' ' ' VAL . 30.7 tp -53.02 -65.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' LEU . 77.2 p -34.13 -51.38 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.07 -47.38 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 53.9 m -57.67 -52.53 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.907 HD13 HD23 ' A' ' 34' ' ' LEU . 43.9 mt -57.22 -51.17 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.78 -15.41 48.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.491 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.69 -13.8 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.29 -12.27 26.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -132.67 152.4 79.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.74 108.97 2.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m -71.81 152.92 93.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.76 92.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 84' ' ' LEU . 3.1 p -35.02 146.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -113.69 -176.59 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 12.9 t -67.27 -46.6 73.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -54.71 -43.26 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -54.23 -48.39 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -49.77 142.43 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.552 HD11 ' O ' ' A' ' 84' ' ' LEU . 5.7 mt -119.2 91.07 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 3.2 tm-20 -138.69 153.93 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 110' ' ' ALA . 7.5 p -120.74 170.96 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.11 130.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.01 66.31 2.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.431 HG21 ' HA ' ' A' ' 12' ' ' PRO . 13.9 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -51.44 -49.68 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.63 84.57 53.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HA ' HG21 ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.75 -40.92 4.76 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -30.25 19.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.845 HG23 ' CE1' ' A' ' 52' ' ' HIS . 2.1 p -105.54 114.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.39 116.65 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 40' ' ' PHE . 38.0 mt -97.72 137.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -119.73 129.17 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.79 131.98 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.826 HG11 ' CB ' ' A' ' 22' ' ' ARG . 2.0 t -68.72 142.18 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.597 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 6.5 mt-10 -84.77 -68.48 0.16 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.78 -51.93 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.826 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -50.8 -57.77 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.2 ttm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 28' ' ' ARG . 3.1 tmt_? -52.32 -43.75 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.73 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 9.7 t80 -43.12 -53.13 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.94 -45.44 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.849 HG23 HG11 ' A' ' 42' ' ' VAL . 93.5 m -38.35 -61.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.03 -32.66 81.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 93' ' ' LEU . 11.1 tp -67.26 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.05 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -50.24 -46.34 54.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.9 t -58.63 -28.65 65.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -84.73 -34.12 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.97 31.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.533 ' HB3' HD12 ' A' ' 16' ' ' ILE . 26.9 m-85 -125.35 117.47 23.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -55.53 117.62 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.849 HG11 HG23 ' A' ' 32' ' ' THR . 61.8 t -95.14 124.03 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -96.13 132.36 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.78 -46.61 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.65 172.35 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.53 116.74 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -139.1 157.97 45.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -43.67 -45.68 7.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 51' ' ' THR . 6.6 mp0 -42.63 -40.92 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.62 109.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 49' ' ' GLU . 70.9 p -103.2 -37.67 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.845 ' CE1' HG23 ' A' ' 14' ' ' VAL . 12.0 m80 -136.35 133.82 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.78 119.98 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' ' 86' ' ' ILE . 62.1 t -93.62 121.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.1 mtt -124.32 135.44 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.5 mt-10 -106.53 156.43 18.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.8 pt-20 37.11 40.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' ' 62' ' ' GLU . 97.7 m -111.22 128.19 55.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 t -68.52 151.03 47.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -45.99 -36.51 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.77 -41.83 15.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 58' ' ' THR . 4.0 tp10 -51.89 -37.21 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 -70.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -47.88 -34.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -66.09 -60.31 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.524 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 2.1 t90 -46.68 -22.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.523 ' CB ' HD11 ' A' ' 83' ' ' LEU . 17.9 tp60 -79.16 -48.23 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.81 -38.61 16.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.63 -36.57 69.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -67.18 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.418 ' SD ' ' NE2' ' A' ' 67' ' ' GLN . 41.3 mmm -39.94 -27.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -71.2 -52.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.84 17.96 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -77.68 147.63 75.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.65 33.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 131.85 22.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.287 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.71 10.85 72.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.2 p -71.16 159.44 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' HD2' ' A' ' 80' ' ' PRO . 97.9 m -120.41 135.33 24.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 111.202 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.531 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.77 113.44 3.38 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.71 169.22 19.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.33 99.94 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 67' ' ' GLN . 8.1 mt -69.4 111.7 5.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.08 175.94 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.589 ' HB2' HD21 ' A' ' 107' ' ' LEU . 10.7 t70 -107.07 152.79 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.471 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.5 tp -43.49 -29.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -52.59 -42.05 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 105' ' ' HIS . 73.0 t90 -66.24 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.463 HD22 HG11 ' A' ' 54' ' ' VAL . 13.8 tp -75.75 -61.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.406 ' HA ' HD12 ' A' ' 93' ' ' LEU . 11.6 p -39.35 -34.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.31 -43.4 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' LEU . 15.4 m -65.62 -46.0 80.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.514 HD13 HD23 ' A' ' 34' ' ' LEU . 10.3 mt -57.97 -51.95 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.01 61.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.67 -15.05 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 -9.6 24.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -134.54 152.37 77.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG22 ' OG ' ' A' ' 92' ' ' SER . 13.9 m -71.23 153.44 94.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -41.3 151.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 13.0 pt-20 -130.83 165.95 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.3 m -56.26 -33.2 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -69.91 -26.58 64.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 88' ' ' TRP . 21.8 m170 -76.94 -46.28 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -45.31 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.589 HD21 ' HB2' ' A' ' 85' ' ' ASP . 18.8 mt -126.41 118.39 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.805 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 13.3 tt0 -166.5 161.26 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.634 HG22 ' H ' ' A' ' 110' ' ' ALA . 8.9 p -123.26 170.5 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.634 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.08 114.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.66 64.75 3.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -90.38 -46.01 8.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.844 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.5 m -73.27 171.1 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.09 62.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -112.44 157.17 21.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -153.74 144.27 22.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.36 -54.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 t -122.84 110.86 15.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 t -41.4 150.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -58.66 -41.17 85.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.591 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.7 m-85 -125.26 81.69 63.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -37.8 8.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.5 -32.55 38.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.777 HG23 ' ND1' ' A' ' 52' ' ' HIS . 2.1 p -102.98 114.57 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 111.151 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -113.37 114.44 26.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.534 HG23 HG23 ' A' ' 54' ' ' VAL . 35.0 mt -93.55 133.9 33.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 25.3 t80 -131.38 135.87 47.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.886 HD23 ' HB ' ' A' ' 54' ' ' VAL . 1.2 mt -101.86 165.78 11.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.713 HG12 ' HD2' ' A' ' 21' ' ' PRO . 0.8 OUTLIER -108.31 142.67 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.4 mt-10 -70.88 -57.27 5.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.713 ' HD2' HG12 ' A' ' 19' ' ' VAL . 54.2 Cg_endo -69.73 5.37 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.392 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 10.0 tpp180 -123.86 -31.55 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.599 ' SD ' HD22 ' A' ' 18' ' ' LEU . 12.0 ttm -111.1 -44.06 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 115.08 173.51 17.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -86.32 -36.62 19.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -84.52 -59.13 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' ARG . 34.2 ttp180 -49.9 -50.74 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.413 ' HG3' HD12 ' A' ' 18' ' ' LEU . 8.2 ttp85 -38.29 -53.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.97 50.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -39.81 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD12 ' SD ' ' A' ' 23' ' ' MET . 30.4 mt -67.22 -45.68 76.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.917 HG23 HG11 ' A' ' 42' ' ' VAL . 97.3 m -41.37 -52.06 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.33 -44.61 21.7 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.519 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD23 HD13 ' A' ' 93' ' ' LEU . 31.1 tp -49.52 -56.21 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.99 -55.97 22.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.094 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.9 mtp-105 -42.68 -42.03 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 m -65.68 -37.15 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 mmtt -68.04 -53.8 23.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.19 34.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.465 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -122.61 142.38 50.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 ttt85 -92.28 115.67 28.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.917 HG11 HG23 ' A' ' 32' ' ' THR . 90.8 t -95.83 125.91 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.62 131.25 36.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.71 -57.45 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.21 144.01 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.1 m -49.62 115.46 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -134.18 151.79 51.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 m -44.39 -36.71 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 51' ' ' THR . 1.6 mp0 -50.99 -40.22 57.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -43.22 114.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 49' ' ' GLU . 36.3 p -108.09 -36.29 6.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.777 ' ND1' HG23 ' A' ' 14' ' ' VAL . 28.9 m80 -126.76 131.47 51.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 81' ' ' PRO . 25.0 t -109.31 130.21 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.091 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.886 ' HB ' HD23 ' A' ' 18' ' ' LEU . 88.0 t -98.48 117.44 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 28.3 mtt -122.51 135.25 54.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -106.87 131.33 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 59.84 46.86 10.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 62' ' ' GLU . 91.3 m -119.69 134.67 55.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -76.79 151.66 35.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.77 -42.08 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.4 pt-20 -78.89 -49.37 12.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HB3' HG23 ' A' ' 58' ' ' THR . 8.6 mm-40 -39.15 -51.73 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.415 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -46.49 -54.06 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.1 t -48.5 -49.54 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.6 t -47.21 -44.87 22.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 45.5 t90 -75.13 -23.72 57.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.796 ' HB2' HD11 ' A' ' 83' ' ' LEU . 35.5 tt0 -71.27 -34.94 71.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.4 -44.21 72.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -49.12 -37.01 20.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 4.3 mmm180 -61.61 -60.43 3.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.2 mmt -53.98 -21.38 8.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.14 -43.11 54.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.94 19.91 18.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.16 148.68 37.52 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.087 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 159.61 52.78 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 147.71 63.3 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 82.75 -29.67 3.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.45 123.65 19.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.877 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.617 HG23 ' HD2' ' A' ' 80' ' ' PRO . 87.5 m -78.54 138.32 58.95 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.573 0.702 . . . . 0.0 111.136 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.617 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.78 144.47 54.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.725 2.283 . . . . 0.0 112.312 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.436 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.7 Cg_endo -69.81 142.3 47.37 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.75 114.48 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.796 HD11 ' HB2' ' A' ' 67' ' ' GLN . 13.4 mt -75.78 120.7 21.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.695 HD23 ' O ' ' A' ' 83' ' ' LEU . 6.3 mt -126.71 177.32 6.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -106.54 175.28 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 HG23 ' A' ' 90' ' ' THR . 7.1 tp -61.81 -33.37 57.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.3 t -47.7 -48.94 29.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -55.83 -55.43 32.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 92' ' ' SER . 33.9 tp -51.72 -64.09 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.401 HG23 HG13 ' A' ' 86' ' ' ILE . 40.4 p -41.01 -52.01 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -57.75 -35.1 70.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 89' ' ' LEU . 24.9 m -69.59 -51.8 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.492 HD13 HD23 ' A' ' 34' ' ' LEU . 11.7 mt -53.71 -49.12 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.05 -21.09 67.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.05 -13.65 23.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.34 -12.09 15.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -134.27 152.35 78.01 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.739 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.591 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.4 Cg_endo -69.71 108.27 2.03 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.701 2.268 . . . . 0.0 112.347 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.1 m -67.65 153.01 95.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.588 0.709 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 120.19 7.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 102' ' ' GLU . 88.8 t -46.66 152.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.127 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.418 ' N ' HG12 ' A' ' 101' ' ' VAL . 7.6 pt-20 -141.66 159.78 41.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 92.9 m -41.4 -55.72 2.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -49.64 -41.33 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -66.21 -51.57 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -48.46 129.93 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.555 HD11 ' O ' ' A' ' 84' ' ' LEU . 8.7 mt -107.18 96.46 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -145.71 162.78 36.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.611 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.8 p -135.56 169.96 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.611 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 136.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 45.27 65.98 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.96 47.76 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -105.02 164.37 11.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -140.78 165.96 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 104.18 163.04 24.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 172.9 11.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.693 2.262 . . . . 0.0 112.298 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.49 126.31 54.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 m -159.65 150.44 15.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.66 0.743 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -50.77 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 44.87 30.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -93.0 178.89 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 55.2 mmm -112.28 142.12 26.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.567 0.698 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -167.53 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.303 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.91 -36.76 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.525 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 7.2 p90 -85.31 36.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -116.55 40.06 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.124 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 83.0 m -135.23 132.09 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.9 p -150.52 173.14 14.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.95 146.3 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.29 16.94 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.1 m -163.9 169.49 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 84.4 p -153.37 160.05 42.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -139.31 158.6 43.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.357 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -61.0 131.62 51.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.85 114.22 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -109.22 42.62 1.41 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -84.86 152.18 23.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.1 79.59 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.4 p -163.65 146.8 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.97 0.414 . . . . 0.0 110.881 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -161.33 148.3 14.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt-85 -54.26 -49.0 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.2 m-85 -121.95 82.53 43.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -30.25 22.78 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.268 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.0 -33.54 69.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.83 HG23 ' CE1' ' A' ' 52' ' ' HIS . 1.3 p -102.18 114.59 42.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.817 0.341 . . . . 0.0 111.119 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -112.99 112.81 24.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 17' ' ' TYR . 73.6 mt -90.87 154.13 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CD1' ' O ' ' A' ' 45' ' ' ALA . 69.8 t80 -134.12 143.47 47.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' ' HG3' ' A' ' 28' ' ' ARG . 12.7 mt -115.32 141.16 48.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.959 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.548 HG12 ' HD2' ' A' ' 21' ' ' PRO . 2.7 t -80.42 160.82 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.2 mm-40 -87.02 -68.69 0.13 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.1 Cg_endo -69.8 -52.0 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.641 2.227 . . . . 0.0 112.334 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HB2' HG11 ' A' ' 19' ' ' VAL . 2.6 mmp_? -48.86 -61.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.0 mmm -73.81 -54.74 7.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.14 145.25 7.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -52.94 -51.03 62.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 m -77.1 -52.48 9.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -47.21 -55.25 8.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 52.5 ttt-85 -54.78 -60.17 3.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -38.48 -56.52 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -40.49 -55.67 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 65.2 mt -63.29 -47.95 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.532 ' HA ' HG21 ' A' ' 42' ' ' VAL . 86.9 m -37.69 -65.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.31 -45.28 95.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 tp -53.31 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.635 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -41.55 -66.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' ALA . 95.8 mtt180 -37.18 -45.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -67.04 -43.18 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 30.8 mmtm -62.6 -49.57 74.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.03 33.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.635 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 7.1 m-85 -130.96 128.76 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -84.62 116.05 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 32' ' ' THR . 61.6 t -89.09 130.15 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD11 ' HB1' ' A' ' 15' ' ' ALA . 18.9 mt -91.78 143.51 26.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.08 22.86 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' O ' ' CD1' ' A' ' 17' ' ' TYR . . . -170.77 -178.58 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.5 t -114.45 82.65 1.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.8 m -113.45 177.24 4.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.792 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.4 p -48.53 -40.98 28.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -46.97 -43.59 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.56 113.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 63.0 p -98.6 -29.85 12.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.83 ' CE1' HG23 ' A' ' 14' ' ' VAL . 11.7 m80 -139.36 150.3 45.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 34.4 t -124.39 131.02 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.429 HG11 HD22 ' A' ' 89' ' ' LEU . 38.8 t -104.77 129.18 57.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.5 ' HG2' HG21 ' A' ' 19' ' ' VAL . 6.3 mtt -137.47 130.89 31.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -96.91 144.42 26.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 50.76 38.79 20.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.3 m -119.49 136.32 54.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.2 p -88.91 178.12 6.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -65.36 -47.01 77.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 15.7 pt-20 -66.68 -52.08 48.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 30.0 tt0 -46.26 -51.22 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.768 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -47.22 -60.6 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.7 t -46.82 -46.52 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.0 t -53.48 -53.91 44.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.454 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 27.2 t90 -65.47 -28.19 69.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.677 ' HB2' HD11 ' A' ' 83' ' ' LEU . 32.8 tt0 -68.7 -39.92 80.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -65.41 -37.05 85.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -48.47 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 20.5 mtt-85 -66.8 -56.01 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 mmm -41.78 -29.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.95 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.64 8.36 17.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -72.89 157.53 88.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.6 Cg_endo -69.83 164.1 35.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 131.9 22.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 -14.75 64.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 22.2 t -64.55 135.43 55.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.936 0.398 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.666 HG23 ' HD2' ' A' ' 80' ' ' PRO . 92.8 m -104.86 139.07 19.74 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.64 0.733 . . . . 0.0 111.157 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.72 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.372 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 168.24 22.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.372 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.14 110.5 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.768 HD13 ' HB1' ' A' ' 63' ' ' ALA . 44.5 mt -69.71 116.29 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.646 ' O ' HD11 ' A' ' 107' ' ' LEU . 10.2 mt -120.22 171.17 8.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.452 ' HB2' HD21 ' A' ' 107' ' ' LEU . 38.8 t70 -107.5 149.72 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.816 HG13 HG23 ' A' ' 90' ' ' THR . 4.2 tp -36.24 -35.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.6 t -42.1 -48.37 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -59.92 -55.63 31.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 92' ' ' SER . 21.0 tp -55.2 -62.33 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.816 HG23 HG13 ' A' ' 86' ' ' ILE . 12.8 p -37.47 -55.04 1.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.75 -33.95 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.522 ' OG ' HG22 ' A' ' 99' ' ' VAL . 50.8 m -71.06 -45.43 63.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.5 -57.02 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.01 -14.48 38.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.51 -15.49 17.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.34 -9.06 22.31 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.502 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -134.32 152.25 77.77 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.77 108.16 2.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG22 ' OG ' ' A' ' 92' ' ' SER . 19.6 m -69.63 150.9 96.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 99.19 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.4 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.427 HG23 ' CB ' ' A' ' 105' ' ' HIS . 1.9 p -40.51 147.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -120.41 168.33 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.1 -37.07 66.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -67.31 -30.09 69.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.427 ' CB ' HG23 ' A' ' 101' ' ' VAL . 6.7 m170 -67.91 -53.09 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 mtt-85 -43.3 144.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.646 HD11 ' O ' ' A' ' 84' ' ' LEU . 13.9 mt -115.96 98.49 6.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.597 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 12.4 tt0 -149.07 153.89 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.599 HG22 ' N ' ' A' ' 110' ' ' ALA . 10.8 p -128.71 167.69 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.599 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -170.24 115.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.68 59.84 6.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 129.67 18.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -104.73 90.7 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -117.95 138.13 52.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.14 69.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 179.15 3.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.713 2.275 . . . . 0.0 112.31 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.83 20.01 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.1 m -151.84 153.66 31.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.654 0.74 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.09 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.388 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.52 175.63 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.507 ' CG ' ' N ' ' A' ' 122' ' ' MET . 1.2 t-105 -120.38 160.21 23.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.507 ' N ' ' CG ' ' A' ' 121' ' ' TRP . 4.4 ptp -172.6 143.22 1.19 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.687 . . . . 0.0 110.88 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -177.44 1.86 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -109.85 -29.21 8.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.541 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.3 OUTLIER -87.05 33.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.57 92.13 4.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.9 t -169.73 166.74 9.68 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.6 t -170.47 145.53 2.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 155.33 67.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.539 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 150.24 67.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.679 2.252 . . . . 0.0 112.35 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.5 t -167.21 119.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -130.75 89.29 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -175.01 129.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.883 0.373 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -140.82 147.53 39.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.51 166.4 36.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -160.57 143.35 13.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.906 0.384 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -103.78 151.06 23.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.63 -77.99 1.63 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' THR . 43.9 t -39.87 158.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.954 0.406 . . . . 0.0 110.876 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' SER . 9.2 t -34.93 146.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -49.25 -43.35 42.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.44 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 25.0 m-85 -117.46 82.76 15.74 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 79.89 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.339 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 171.84 -31.61 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.033 HG23 ' CE1' ' A' ' 52' ' ' HIS . 12.3 p -93.63 107.74 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.02 110.73 18.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' CG2' HG23 ' A' ' 54' ' ' VAL . 18.6 mt -92.45 137.68 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -116.76 126.2 52.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.3 mt -88.71 126.59 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG12 ' HG2' ' A' ' 21' ' ' PRO . 18.8 t -80.06 98.43 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 7.0 mt-10 -34.51 -60.07 0.54 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.502 ' HG2' HG12 ' A' ' 19' ' ' VAL . 54.2 Cg_endo -69.76 143.36 50.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 mtm105 59.78 42.31 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 43.1 tpp -131.73 -51.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.52 164.41 10.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -79.97 -61.55 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.8 p -86.06 -53.14 5.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -39.51 -52.79 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -39.65 -48.61 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.25 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' HD22 ' A' ' 34' ' ' LEU . 21.2 t80 -40.62 -50.48 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.1 mt -69.04 -43.77 74.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.487 HG23 HG11 ' A' ' 42' ' ' VAL . 94.1 m -40.64 -62.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.02 -41.14 72.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.712 HD23 HD13 ' A' ' 93' ' ' LEU . 28.7 tp -47.91 -57.72 5.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.16 -58.75 6.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.043 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -43.97 -42.15 5.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -64.76 -38.98 92.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -67.29 -54.98 15.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.04 34.18 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 24.8 m-85 -119.48 139.86 51.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -83.43 110.06 17.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG11 HG23 ' A' ' 32' ' ' THR . 92.3 t -93.97 125.62 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -89.5 127.01 35.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.12 -49.91 75.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.08 162.88 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.5 p -59.3 118.51 6.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -139.0 153.95 48.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.9 p -49.94 -27.81 5.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -56.92 -40.52 76.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.58 108.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.535 ' HG1' ' CE1' ' A' ' 52' ' ' HIS . 70.7 p -95.26 -47.01 6.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.033 ' CE1' HG23 ' A' ' 14' ' ' VAL . 6.9 m80 -124.6 143.01 50.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.6 t -115.74 138.35 46.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 HD22 ' A' ' 89' ' ' LEU . 60.6 t -105.89 124.91 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.659 ' SD ' HG21 ' A' ' 58' ' ' THR . 19.3 mtt -128.5 117.45 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -92.41 140.4 29.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 46.13 46.99 13.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.659 HG21 ' SD ' ' A' ' 55' ' ' MET . 86.2 m -121.1 131.69 54.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -69.35 158.99 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.48 90.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -75.8 -42.57 49.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' HG23 ' A' ' 58' ' ' THR . 40.7 tt0 -53.51 -44.85 69.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.79 -50.91 65.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -53.65 -50.88 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -49.42 -63.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -43.57 -40.53 4.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' NE2' ' HD2' ' A' ' 81' ' ' PRO . 7.5 tp-100 -67.15 -51.71 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' ARG . 54.1 mm-40 -38.1 -48.99 1.29 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 68' ' ' GLU . 8.4 mmm180 -36.42 -47.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.9 mtp180 -62.56 -59.54 4.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.44 -34.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.03 -55.61 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.91 24.76 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -106.71 151.86 40.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 111.1 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.31 57.46 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 133.22 25.08 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.04 -29.66 12.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.8 p -55.44 126.48 25.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.8 m -98.65 130.84 27.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.586 0.707 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.66 51.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HD2' ' NE2' ' A' ' 67' ' ' GLN . 53.1 Cg_endo -69.77 172.31 12.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.667 2.244 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.92 111.85 20.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -76.04 106.39 7.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD21 HG21 ' A' ' 101' ' ' VAL . 47.6 mt -112.11 174.23 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.431 ' HB2' HD21 ' A' ' 107' ' ' LEU . 5.0 t70 -108.07 155.42 20.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.5 tp -45.53 -22.63 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.2 m -58.32 -43.78 88.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -63.99 -54.18 38.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 54' ' ' VAL . 27.4 tp -50.75 -61.67 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -46.66 -43.96 18.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -61.03 -41.77 97.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.5 m -68.18 -47.65 67.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.712 HD13 HD23 ' A' ' 34' ' ' LEU . 17.0 mt -59.51 -51.14 71.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.35 -14.16 46.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.02 -12.87 15.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.82 -12.73 21.67 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -132.66 152.48 80.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.44 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.82 108.85 2.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.235 . . . . 0.0 112.305 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.68 152.6 95.21 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 93.74 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.581 HG21 HD21 ' A' ' 84' ' ' LEU . 5.4 p -40.08 148.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -130.74 169.18 16.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 88.1 m -49.57 -49.82 44.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -49.58 -42.23 43.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -67.35 -43.13 82.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -53.41 132.8 40.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.431 HD21 ' HB2' ' A' ' 85' ' ' ASP . 46.9 mt -102.75 95.89 6.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -142.77 154.09 43.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.609 HG22 ' N ' ' A' ' 110' ' ' ALA . 11.7 p -123.04 167.32 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.609 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -175.03 131.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 53.63 63.11 5.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 168.67 20.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.68 172.81 6.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.67 141.07 24.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 73.31 -114.44 4.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -176.83 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.656 2.238 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.561 ' H ' HD23 ' A' ' 117' ' ' LEU . 2.4 pt? -131.28 145.38 51.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.6 m -160.49 144.08 10.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.664 0.745 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -47.28 0.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.731 2.287 . . . . 0.0 112.361 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.8 -177.34 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -112.88 143.64 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 65.3 mtp -151.97 138.63 12.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -179.85 3.23 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.685 2.256 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -99.39 -31.75 11.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.489 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 2.0 p90 -85.31 34.93 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.64 84.18 7.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 42.3 m -128.95 151.44 49.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.1 m -158.03 120.93 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -118.2 83.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.23 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.5 p -149.38 158.18 43.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.5 t -121.5 -57.48 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -107.59 112.28 24.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -118.96 100.45 7.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.6 164.31 25.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.47 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -52.4 109.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -84.82 -56.35 3.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.08 -85.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 t -69.47 107.24 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.99 0.424 . . . . 0.0 110.859 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.8 t -52.6 142.54 17.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -52.21 -47.09 65.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.425 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 7.8 m-85 -122.17 83.69 45.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.45 28.7 13.69 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -147.3 119.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.841 0.353 . . . . 0.0 111.106 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 49' ' ' GLU . . . -119.47 116.39 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 52' ' ' HIS . 28.6 mt -107.64 139.81 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -120.67 124.47 45.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.4 mt -98.08 130.41 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.76 HG21 ' HG2' ' A' ' 55' ' ' MET . 2.9 t -62.85 149.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.609 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 1.5 mm-40 -87.46 -68.87 0.12 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.621 0.724 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.609 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.71 -51.96 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.743 ' CB ' HG11 ' A' ' 19' ' ' VAL . 20.9 tpp180 -46.17 -24.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.406 ' CE ' ' H ' ' A' ' 19' ' ' VAL . 31.5 mtm -117.96 -68.63 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 20' ' ' GLU . . . 144.49 175.64 17.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.549 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 52.1 mtt180 -77.21 -54.59 6.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 m -69.68 -57.94 4.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -45.42 -37.87 5.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttt-85 -69.56 -57.94 4.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.26 -47.27 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -44.36 -65.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.46 -45.56 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -40.66 -62.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.57 -49.73 75.41 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.674 ' CD2' HD22 ' A' ' 93' ' ' LEU . 15.2 tp -47.5 -58.61 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.873 0.368 . . . . 0.0 110.941 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.499 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -45.9 -65.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.063 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 80.9 mtt180 -37.52 -38.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -72.12 -45.87 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.606 ' HG3' HD23 ' A' ' 93' ' ' LEU . 21.7 mmtp -58.54 -42.2 87.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.26 26.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.549 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.499 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 40.9 m-85 -109.11 143.87 37.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.9 ttt85 -90.2 115.71 27.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.0 t -99.85 132.72 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.9 mt -92.43 148.18 22.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.26 -43.93 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -133.44 169.18 17.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.21 146.46 9.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 88.8 p -172.62 -178.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.0 p -82.1 -12.3 58.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.699 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 33.0 mt-10 -70.61 -31.86 69.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.05 107.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.56 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 3.0 p -113.75 -26.84 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.56 ' CE1' ' HB ' ' A' ' 51' ' ' THR . 1.5 m80 -144.79 109.29 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.3 t -96.9 122.2 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 t -93.28 141.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.76 ' HG2' HG21 ' A' ' 19' ' ' VAL . 15.5 mtt -140.72 166.62 24.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 57' ' ' GLU . 21.8 mt-10 -133.94 145.87 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 9.2 pt-20 42.87 36.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.412 HG21 ' SD ' ' A' ' 55' ' ' MET . 23.1 m -112.42 120.19 40.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.136 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -178.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -29.57 45.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.76 -37.52 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -55.16 -33.25 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.3 -50.83 50.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.454 HG21 ' HG2' ' A' ' 108' ' ' GLU . 43.6 t -61.35 -30.2 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -75.64 -33.57 60.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.463 ' CH2' ' NE ' ' A' ' 70' ' ' ARG . 11.2 t90 -75.13 -25.59 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.3 -20.53 26.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -63.76 -52.39 60.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -46.45 -31.84 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' CH2' ' A' ' 66' ' ' TRP . 23.6 mtt-85 -77.34 -63.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.4 mmt -47.14 -21.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.94 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.51 -50.06 48.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.72 10.77 40.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -81.37 155.37 71.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.697 . . . . 0.0 111.071 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.411 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.7 Cg_endo -69.8 154.44 67.58 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.658 2.238 . . . . 0.0 112.316 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 136.89 34.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.02 -21.7 43.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.2 t -62.07 125.08 22.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.942 0.401 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.616 HG23 ' HD2' ' A' ' 80' ' ' PRO . 90.2 m -78.0 138.41 61.21 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.595 0.712 . . . . 0.0 111.166 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.616 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.7 128.71 16.48 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.315 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 137.48 35.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.612 2.208 . . . . 0.0 112.338 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.26 106.13 3.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 107' ' ' LEU . 15.3 mt -71.63 110.66 6.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.578 ' C ' HD11 ' A' ' 107' ' ' LEU . 39.4 mt -109.95 171.34 7.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -105.91 156.74 18.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tp -45.77 -25.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.8 m -58.7 -42.04 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.477 ' CG ' HD13 ' A' ' 84' ' ' LEU . 77.2 t90 -64.01 -42.1 97.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.38 -55.39 28.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.2 p -51.71 -27.78 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -71.92 -44.38 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m -73.79 -37.58 64.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.674 HD22 ' CD2' ' A' ' 34' ' ' LEU . 74.9 mt -62.26 -45.82 91.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.9 -9.13 87.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.44 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.07 -14.29 14.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.77 -16.98 9.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -128.69 151.93 77.88 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.425 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.2 Cg_endo -69.8 108.34 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.308 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -70.48 151.79 95.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 126.73 13.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.647 2.231 . . . . 0.0 112.403 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 97.2 t -42.47 139.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -116.8 160.52 20.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.9 m -56.51 -26.2 53.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -82.64 -29.91 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -70.3 -48.52 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -42.82 135.51 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.578 HD11 ' C ' ' A' ' 84' ' ' LEU . 13.3 mt -119.26 96.79 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.454 ' HG2' HG21 ' A' ' 64' ' ' VAL . 10.1 tm-20 -152.27 154.9 36.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.596 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.9 p -117.88 169.72 8.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.596 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -174.37 109.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.24 71.41 1.07 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 132.83 24.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.708 2.272 . . . . 0.0 112.343 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -85.24 159.13 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.4 mmtt -135.55 119.31 17.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 69.73 161.2 2.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.476 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 179.07 3.97 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 117' ' ' LEU . 0.9 OUTLIER -135.05 139.28 44.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.2 m -134.81 142.41 42.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.689 0.757 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.06 -176.86 2.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -111.38 136.48 50.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.2 mmm -141.66 127.86 11.15 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.596 0.713 . . . . 0.0 110.831 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.462 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.8 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -98.75 -28.14 13.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -84.83 23.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.462 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -88.44 84.57 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 28.7 p -150.3 129.5 12.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.4 p -155.6 171.27 20.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -173.36 147.65 9.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 135.29 30.23 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 35.5 p -114.91 147.43 39.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.5 p -150.12 174.15 13.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -136.14 111.37 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 m -129.91 168.35 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.92 53.58 0.57 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -122.49 119.76 31.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 110.862 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -127.15 125.56 41.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.67 62.6 0.27 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 75.2 m -114.71 108.46 16.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.981 0.419 . . . . 0.0 110.855 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.2 t -95.71 146.08 24.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -51.18 -46.59 62.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 19.6 m-85 -119.96 83.51 30.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.635 0.731 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -5.62 16.68 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.652 2.235 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.97 30.46 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -148.67 111.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.794 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.96 111.96 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.6 mt -100.89 135.6 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -118.4 131.52 56.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 mt -97.09 136.99 36.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' A' ' 22' ' ' ARG . 11.1 t -73.95 158.34 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.612 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.1 mt-10 -87.39 -68.93 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.645 0.736 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.612 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.74 -51.94 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.661 2.241 . . . . 0.0 112.361 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HB2' HG11 ' A' ' 19' ' ' VAL . 36.8 mmt-85 -52.23 -52.7 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.6 tpp -78.59 -58.73 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.74 -179.8 17.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -84.82 -57.44 3.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 27' ' ' ARG . 69.7 m -72.76 -55.29 6.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.1 tpt180 -36.59 -40.7 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 9.0 mtp-105 -50.31 -62.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.3 -50.95 15.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -38.78 -69.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.8 mt -62.99 -45.75 90.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.6 m -37.92 -53.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.81 -41.25 56.43 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 tp -56.04 -60.59 3.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.786 0.327 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.28 -58.9 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -43.72 -40.94 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -68.05 -37.01 80.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -67.04 -59.85 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.25 34.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -119.92 145.82 46.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -91.88 112.76 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -89.54 129.36 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD11 ' HB1' ' A' ' 15' ' ' ALA . 9.2 mt -97.1 142.84 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -91.05 -34.63 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.91 167.43 21.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 13.3 t -69.46 101.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.7 m -120.64 46.85 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.1 p 42.42 36.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.814 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.493 ' O ' HG23 ' A' ' 51' ' ' THR . 8.0 mt-10 -120.8 -35.4 3.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.47 104.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 49' ' ' GLU . 20.6 p -101.61 -24.1 14.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -138.63 118.72 13.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.76 132.12 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.478 HG11 HD22 ' A' ' 89' ' ' LEU . 62.2 t -102.44 117.24 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.3 mtt -127.04 132.5 50.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -119.65 139.07 52.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 60.15 52.55 4.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.5 m -140.27 143.28 35.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 m -75.67 172.29 12.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -67.61 -43.24 80.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.6 -48.03 28.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -43.88 -48.89 8.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.78 -51.81 36.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.9 t -52.19 -41.63 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t -55.53 -56.8 16.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.0 t90 -56.44 -33.1 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.05 -37.58 87.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -56.19 -41.58 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -46.86 -42.05 16.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' ALA . 8.7 mmp_? -61.58 -62.3 1.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -42.39 -32.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.12 -48.52 43.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.04 27.19 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -98.68 153.08 38.07 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.079 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 166.73 26.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.389 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 130.64 19.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.38 20.57 74.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.6 p -70.38 157.0 38.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 80' ' ' PRO . 84.8 m -111.89 132.95 21.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.599 0.714 . . . . 0.0 111.11 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.76 121.72 8.4 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 172.17 13.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.375 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' A' ' 84' ' ' LEU . . . -92.44 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' LEU . 69.4 mt -70.67 97.48 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 101' ' ' VAL . 5.5 mt -109.82 170.73 7.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -110.81 159.64 17.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.702 HG13 HG23 ' A' ' 90' ' ' THR . 2.7 tp -45.82 -34.4 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.0 t -46.29 -37.31 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -70.11 -40.82 74.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.478 HD22 HG11 ' A' ' 54' ' ' VAL . 41.1 tp -69.17 -57.48 5.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.702 HG23 HG13 ' A' ' 86' ' ' ILE . 32.2 p -47.93 -28.45 2.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -83.64 -35.19 24.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -71.32 -35.88 71.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.415 HD11 ' HG ' ' A' ' 89' ' ' LEU . 14.4 mt -67.64 -54.74 17.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.45 -12.48 39.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.12 -19.89 14.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.44 -13.75 32.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -131.73 152.12 79.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.534 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.76 108.24 2.04 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 m -70.58 150.29 95.51 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.578 0.704 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 91.95 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.283 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 84' ' ' LEU . 7.5 p -35.09 142.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -116.97 171.34 7.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 31.0 p -61.04 -20.42 62.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.8 mtm180 -79.13 -41.59 28.2 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -64.41 -43.07 95.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -52.06 159.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 83' ' ' LEU . 10.1 mt -120.33 127.63 52.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.526 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 18.5 tt0 -174.19 153.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.567 HG22 ' N ' ' A' ' 110' ' ' ALA . 12.1 p -120.05 162.75 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.567 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -169.87 128.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 112' ' ' PRO . . . 61.67 54.45 35.54 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.47 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 111' ' ' GLY . 53.4 Cg_endo -69.74 125.32 12.02 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.284 . . . . 0.0 112.339 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -130.97 164.64 24.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.0 tptp -107.61 142.21 37.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 116.13 -152.43 17.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 172.49 12.55 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.674 2.249 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.495 ' H ' HD23 ' A' ' 117' ' ' LEU . 0.6 OUTLIER -109.46 168.51 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 50.5 m -102.54 151.77 38.28 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.52 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.35 -175.02 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -147.69 148.0 30.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -149.26 141.72 15.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.471 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.7 Cg_endo -69.73 -165.04 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -115.03 -29.38 6.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.082 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.3 OUTLIER -88.3 27.46 1.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -80.54 93.5 6.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.094 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.5 t -149.77 131.27 14.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.3 t -159.63 125.73 4.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -143.51 147.51 18.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 112.35 3.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.338 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.7 m -141.47 105.58 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.4 p -41.19 -57.15 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.485 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -119.82 108.05 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.3 p -50.47 173.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.24 -146.68 6.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -105.97 156.46 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -53.4 153.31 4.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.39 -50.78 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -83.35 101.95 11.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.6 t -134.45 152.68 51.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.138 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtt-85 -49.49 -45.98 47.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 3.4 m-85 -130.59 86.59 52.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 3.01 3.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.48 32.49 6.4 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.6 t -149.56 112.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -115.97 134.19 55.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.652 ' CG2' HG23 ' A' ' 54' ' ' VAL . 49.5 mt -117.65 152.38 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.474 ' CE2' ' O ' ' A' ' 18' ' ' LEU . 87.7 t80 -131.16 161.14 32.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.529 HD23 ' HB ' ' A' ' 54' ' ' VAL . 13.4 mt -133.29 148.56 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 22' ' ' ARG . 99.6 t -97.39 132.75 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.574 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 9.7 mt-10 -68.39 -55.9 11.37 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.604 0.716 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.78 8.63 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.342 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -120.06 -64.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.6 mmm -71.28 -56.33 6.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.87 -179.36 17.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -76.36 -43.69 39.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 m -87.56 -52.02 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 28' ' ' ARG . 21.9 tpp180 -39.32 -63.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -34.5 -56.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.81 96.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.3 t80 -47.05 -47.04 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.21 -46.39 17.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -43.62 -57.65 3.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.7 -36.68 93.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 HD23 HD13 ' A' ' 93' ' ' LEU . 26.1 tp -62.16 -59.4 5.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' HA ' ' CD2' ' A' ' 93' ' ' LEU . . . -53.07 -45.5 68.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -50.6 -49.78 55.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.2 t -58.89 -30.58 67.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.437 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 26.8 mmtm -72.26 -56.74 5.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.28 35.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -124.4 128.76 49.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -82.85 108.8 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -96.55 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 mt -94.46 132.96 38.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.8 -37.03 70.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.12 167.87 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.3 p -72.45 141.39 48.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.8 p -164.49 -177.96 5.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.5 p -76.29 -27.19 56.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.82 -34.39 73.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.21 105.97 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.3 p -96.33 -28.33 14.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -134.81 155.19 51.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.415 HG22 ' HB3' ' A' ' 17' ' ' TYR . 98.8 t -132.32 134.94 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.652 HG23 ' CG2' ' A' ' 16' ' ' ILE . 48.3 t -102.45 127.74 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 mtt -135.56 146.01 47.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' CD ' HG21 ' A' ' 86' ' ' ILE . 7.4 mm-40 -116.24 158.17 23.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 42.73 27.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.5 HG23 ' HB3' ' A' ' 62' ' ' GLU . 14.6 m -110.7 116.47 31.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -70.81 165.35 23.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -53.36 -50.48 64.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -66.11 -30.9 71.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 58' ' ' THR . 14.2 mt-10 -64.22 -53.06 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.407 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -46.17 -54.34 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.3 t -46.67 -38.27 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -60.49 -56.31 22.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -60.21 -16.0 29.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.75 ' HB2' HD11 ' A' ' 83' ' ' LEU . 3.9 tp-100 -84.93 -46.34 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -46.6 -43.91 17.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? -54.42 -39.24 67.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.96 -62.06 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.5 mmt -48.12 -20.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.38 -49.56 9.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.87 21.55 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.24 151.36 37.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 155.06 66.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 136.48 32.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.51 -8.63 78.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 6.7 t -84.18 141.94 30.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.402 HG23 ' HD2' ' A' ' 80' ' ' PRO . 78.8 m -101.75 132.49 21.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.6 0.714 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.1 Cg_endo -69.78 144.98 55.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 173.06 11.51 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.85 118.2 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 67' ' ' GLN . 51.5 mt -76.98 105.39 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 107' ' ' LEU . 11.9 mt -115.4 173.62 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -106.09 157.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.48 HG21 ' CD ' ' A' ' 56' ' ' GLU . 5.0 tp -50.28 -30.72 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.7 t -52.73 -27.45 17.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -75.59 -52.34 10.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.34 -57.46 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.5 p -47.38 -45.83 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.53 -32.56 74.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.8 m -78.08 -30.59 49.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 35' ' ' ALA . 61.5 mt -71.94 -51.93 19.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.88 -14.05 60.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.52 -17.39 16.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 0.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.72 -10.99 28.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -132.52 151.82 78.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.59 0.71 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.555 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.76 108.3 2.05 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.383 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.3 m -74.0 151.2 88.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.727 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.3 Cg_endo -69.83 116.03 4.38 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.252 . . . . 0.0 112.331 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 100' ' ' PRO . 50.9 t -35.88 152.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' N ' HG12 ' A' ' 101' ' ' VAL . 48.1 mm-40 -125.43 175.95 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 18.9 t -66.83 -32.8 74.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -75.24 -24.6 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -74.99 -53.78 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 mtp-105 -41.39 120.05 1.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 84' ' ' LEU . 45.1 mt -97.82 69.62 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.493 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 26.2 tt0 -127.77 151.03 49.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.581 HG22 ' N ' ' A' ' 110' ' ' ALA . 8.7 p -122.01 168.17 14.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.581 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -175.1 127.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.93 63.85 4.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 129.48 17.63 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.637 2.225 . . . . 0.0 112.358 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.39 168.65 18.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -169.37 148.91 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 63.59 131.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.479 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 176.93 6.15 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.601 HD12 ' C ' ' A' ' 117' ' ' LEU . 1.7 pp -143.38 153.49 42.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.96 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.5 m -153.52 146.45 17.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 0.0 110.818 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -44.44 2.09 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.72 174.27 14.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -112.73 140.07 47.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -142.85 140.63 18.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.569 0.7 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.44 ' HG2' ' HB3' ' A' ' 126' ' ' ALA . 54.3 Cg_endo -69.74 -179.55 2.98 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.24 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -112.2 -22.44 10.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -83.05 0.91 42.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.44 ' HB3' ' HG2' ' A' ' 123' ' ' PRO . . . -131.5 87.84 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 10.3 t -112.55 136.84 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.4 t -60.99 -31.54 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 65.96 146.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.76 6.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.0 t -82.0 79.78 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.8 p 43.82 41.14 3.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 1' ' ' GLY . 66.3 p -36.72 134.4 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.87 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 p -75.74 163.08 27.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.31 -179.87 47.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -98.96 122.77 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.9 t -43.55 -60.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.34 85.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -121.77 117.09 25.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.394 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.9 t -39.33 147.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -52.05 -46.21 65.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.479 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 26.4 m-85 -118.49 82.49 19.44 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.96 24.93 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.7 27.66 19.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.4 t -142.11 114.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.105 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -115.74 128.07 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 52' ' ' HIS . 24.5 mt -117.91 137.53 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -121.25 128.4 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' CB ' ' HG3' ' A' ' 28' ' ' ARG . 30.0 mt -93.09 140.08 29.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 22' ' ' ARG . 65.1 t -85.43 98.53 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 23.5 mt-10 -34.19 -58.8 0.59 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.607 0.718 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.81 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.521 ' HB2' HG11 ' A' ' 19' ' ' VAL . 66.9 mmt-85 -28.61 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.571 ' HE2' ' O ' ' A' ' 54' ' ' VAL . 11.6 tpp -77.73 -60.49 2.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.2 168.01 11.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -79.67 -49.89 11.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.911 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' ARG . 73.6 m -87.22 -57.6 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 27' ' ' ARG . 0.7 OUTLIER -36.33 -39.03 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' HG3' ' CB ' ' A' ' 18' ' ' LEU . 28.7 ttp180 -57.3 -56.43 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.17 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -40.35 -50.22 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 32' ' ' THR . 15.7 mt -71.29 -49.16 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 93.3 m -34.04 -59.33 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.46 -44.18 84.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.578 HD23 HD13 ' A' ' 93' ' ' LEU . 18.6 tp -52.5 -62.75 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.67 -55.06 12.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -46.5 -46.92 19.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 t -60.18 -35.69 75.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -69.67 -58.71 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 152.6 34.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -121.51 134.8 55.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.803 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -81.75 115.43 20.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG11 HG23 ' A' ' 32' ' ' THR . 70.4 t -93.93 120.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.492 HD11 ' HB1' ' A' ' 15' ' ' ALA . 58.6 mt -76.08 134.93 39.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -68.29 -48.82 63.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.22 171.63 11.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.44 141.97 58.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.3 p -172.27 168.07 5.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.7 p -55.67 -33.29 63.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' THR . 4.0 mm-40 -45.25 -48.12 12.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.11 104.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 49' ' ' GLU . 63.2 p -105.15 -33.92 8.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' O ' HG23 ' A' ' 16' ' ' ILE . 62.0 m80 -132.35 101.39 5.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 96.1 t -85.44 138.42 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.571 ' O ' ' HE2' ' A' ' 23' ' ' MET . 89.5 t -109.57 141.49 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.497 ' CE ' ' CE3' ' A' ' 66' ' ' TRP . 51.8 mtt -139.4 140.25 37.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -117.08 131.31 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 57.01 42.67 25.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.905 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.4 m -115.61 140.22 49.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.3 t -77.06 154.78 33.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.31 -42.52 73.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.55 -41.18 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -50.65 -55.23 17.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.559 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -45.21 -51.34 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.109 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 42.2 t -60.67 -28.39 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 t -83.3 -30.84 27.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.497 ' CE3' ' CE ' ' A' ' 55' ' ' MET . 54.8 t90 -78.12 -19.5 53.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.4 pt20 -87.52 -32.65 19.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ARG . 2.9 mm-40 -55.74 -50.9 69.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' GLU . 83.3 mmt-85 -34.5 -43.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 74' ' ' ALA . 23.7 mtp180 -71.77 -61.73 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 58.7 mmm -45.93 -29.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.05 -55.46 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.72 32.2 5.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -79.67 157.37 74.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.546 0.689 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.8 Cg_endo -69.78 162.36 42.38 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 122.5 9.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.08 58.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.5 p -56.34 158.23 4.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 80' ' ' PRO . 98.0 m -123.13 136.02 26.54 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.634 0.731 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.81 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.68 176.53 6.59 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.727 2.285 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.81 109.28 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.559 HD13 ' HB1' ' A' ' 63' ' ' ALA . 22.5 mt -70.61 106.96 3.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' ' 88' ' ' TRP . 27.9 mt -113.12 166.32 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -106.22 156.76 18.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 87' ' ' SER . 8.5 tp -42.66 -42.72 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 86' ' ' ILE . 14.5 m -44.63 -41.05 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.5 ' CD1' HD13 ' A' ' 84' ' ' LEU . 62.8 t90 -61.47 -52.02 66.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 92' ' ' SER . 47.2 tp -55.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.533 ' HA ' HD12 ' A' ' 93' ' ' LEU . 29.2 p -37.97 -50.22 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -59.0 -39.81 82.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 16.5 m -67.17 -38.41 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.578 HD13 HD23 ' A' ' 34' ' ' LEU . 16.6 mt -66.62 -51.82 52.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.39 -10.51 48.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.501 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.37 -16.9 14.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.814 0.34 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.98 -14.63 19.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 27.6 pt20 -129.95 151.21 77.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.479 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.8 Cg_endo -69.75 108.35 2.06 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.2 m -71.04 148.55 94.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.75 123.5 10.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 0.0 112.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 84.2 t -34.94 135.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -103.25 171.83 7.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 6.0 p -63.77 -34.39 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -77.05 -38.12 53.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 106' ' ' ARG . 46.3 m170 -54.53 -56.39 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 105' ' ' HIS . 75.3 mtt180 -35.86 126.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 43.7 mt -109.24 94.1 4.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 6.8 tt0 -150.5 153.37 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.635 HG22 ' H ' ' A' ' 110' ' ' ALA . 6.7 p -116.47 171.19 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.635 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 136.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 47.81 66.26 2.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 125.36 12.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -126.57 148.14 49.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -116.89 149.89 39.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 76.4 167.56 25.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 172.03 13.39 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.517 HD12 ' C ' ' A' ' 117' ' ' LEU . 4.0 pp -130.8 154.5 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m -84.62 144.04 42.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.736 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -46.62 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.393 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -172.86 -177.82 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.081 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -135.84 147.39 48.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -155.9 142.15 13.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.65 4.33 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -91.86 -38.37 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.5 OUTLIER -83.88 35.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.14 47.56 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.128 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 65.2 m -149.14 147.84 28.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.6 p -159.79 173.33 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.2 146.2 5.37 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.76 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.0 t 49.93 35.94 10.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 75.7 p -83.48 168.78 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 m -79.18 84.82 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.373 . . . . 0.0 110.83 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -108.82 149.32 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.18 -97.92 1.24 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 t -159.68 159.14 32.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -126.89 113.94 17.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.64 -49.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -72.0 145.11 48.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.858 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.1 t -77.77 147.91 35.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -46.07 -37.06 6.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.59 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.5 m-85 -124.73 84.91 57.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.694 0.759 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' O ' ' NH2' ' A' ' 41' ' ' ARG . 53.7 Cg_endo -69.74 3.06 2.98 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -109.93 14.26 31.66 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.07 134.3 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.852 0.358 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.86 110.3 8.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 40' ' ' PHE . 19.9 mt -99.56 142.19 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -120.99 129.19 53.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 mt -98.82 125.54 44.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.598 HG12 ' N ' ' A' ' 20' ' ' GLU . 14.6 t -59.19 168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 12.9 mt-10 -96.33 -70.61 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.634 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 -53.25 0.28 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.702 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.503 ' HB2' HG11 ' A' ' 19' ' ' VAL . 33.4 mmt-85 -38.53 -30.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.483 ' HE1' ' H ' ' A' ' 19' ' ' VAL . 2.9 mpp? -111.71 -73.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.93 -171.46 27.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 22.9 mtm105 -79.47 -59.3 2.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 28' ' ' ARG . 29.2 t -69.17 -63.1 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 21.7 ttm180 -37.8 -31.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 26' ' ' SER . 15.1 ttm180 -69.55 -60.81 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.06 -50.0 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -41.2 -57.37 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.25 -51.55 23.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.759 HG23 HG11 ' A' ' 42' ' ' VAL . 92.4 m -37.68 -49.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.6 -48.55 10.3 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.717 HD23 HD13 ' A' ' 93' ' ' LEU . 16.4 tp -49.1 -55.79 11.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.24 -62.74 1.45 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.06 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.598 ' HG3' HG23 ' A' ' 42' ' ' VAL . 10.8 mtp85 -45.02 -36.56 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -69.76 -37.6 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' HG3' HD23 ' A' ' 93' ' ' LEU . 35.5 mmtt -71.28 -57.55 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 157.33 33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.613 ' HB3' HD12 ' A' ' 16' ' ' ILE . 3.5 m-85 -129.52 118.18 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.332 . . . . 0.0 110.93 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.43 ' NH2' ' O ' ' A' ' 12' ' ' PRO . 6.1 ptp180 -66.82 139.55 57.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.759 HG11 HG23 ' A' ' 32' ' ' THR . 48.5 t -110.89 119.14 58.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD13 ' OG ' ' A' ' 47' ' ' SER . 63.2 mt -77.8 137.71 38.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -75.68 -50.21 16.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.11 170.76 10.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.0 m -59.56 114.62 2.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.479 ' OG ' HD13 ' A' ' 43' ' ' LEU . 80.9 p -134.53 151.21 50.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 53.8 p -50.86 -32.13 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.715 ' O ' HG23 ' A' ' 51' ' ' THR . 3.8 mm-40 -50.29 -42.73 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.03 103.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 49' ' ' GLU . 41.4 p -103.73 -33.07 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -137.01 129.81 30.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.8 t -108.76 152.21 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.7 t -121.99 139.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 21.1 mtt -144.91 118.28 9.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HG3' HG21 ' A' ' 86' ' ' ILE . 25.3 tt0 -96.74 143.33 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 52.37 46.53 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.7 m -129.52 150.55 50.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.9 t -88.8 157.98 18.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.16 -45.67 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 62' ' ' GLU . 11.2 pt-20 -69.01 -41.2 78.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 61' ' ' GLU . 5.4 tp10 -53.37 -50.04 65.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.44 -54.43 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.1 t -48.66 -38.13 9.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -64.96 -47.76 76.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.494 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 3.6 t90 -63.75 -22.4 66.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 81' ' ' PRO . 3.9 tp-100 -82.37 -54.17 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -41.03 -44.95 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.2 mmt85 -46.6 -40.79 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 12.6 mtp-105 -72.85 -52.25 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.5 mmt -51.32 -35.14 36.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.22 -33.63 76.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.19 8.05 23.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -86.29 145.55 40.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 162.63 41.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.259 . . . . 0.0 112.396 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.63 48.62 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.712 2.275 . . . . 0.0 112.348 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.57 -36.69 3.6 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 9.8 t -54.46 125.88 21.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 80' ' ' PRO . 61.7 m -84.49 137.26 39.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.601 0.715 . . . . 0.0 111.158 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.6 Cg_endo -69.8 132.61 23.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HG2' ' NE2' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 156.29 63.83 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.48 124.98 29.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 28.3 mt -87.52 98.16 11.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.503 ' O ' HD11 ' A' ' 107' ' ' LEU . 46.1 mt -100.5 171.17 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.54 ' HB3' HD21 ' A' ' 107' ' ' LEU . 7.1 p30 -106.35 162.37 13.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.714 HG21 ' HG3' ' A' ' 56' ' ' GLU . 8.0 tp -51.9 -27.03 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.8 t -59.29 -33.91 71.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.435 ' CG ' HD13 ' A' ' 84' ' ' LEU . 83.8 t90 -69.02 -54.16 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.05 -61.74 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 24.8 p -39.11 -58.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -50.55 -45.48 56.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 96' ' ' GLY . 33.3 m -59.8 -56.06 26.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.717 HD13 HD23 ' A' ' 34' ' ' LEU . 12.9 mt -51.42 -44.81 62.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -70.81 -16.69 74.62 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.93 -13.5 16.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 92' ' ' SER . . . 77.79 -12.9 14.73 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.465 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -130.7 151.59 79.02 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 110.879 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.59 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.79 108.25 2.04 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.8 m -71.01 151.24 94.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.67 0.748 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.7 Cg_endo -69.78 114.84 3.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 100' ' ' PRO . 79.8 t -34.48 143.86 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -114.13 175.74 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.4 m -65.21 -37.89 88.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -73.14 -37.3 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -57.92 -57.19 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -42.31 117.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 85' ' ' ASP . 9.6 mt -98.43 98.03 9.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -151.52 156.45 40.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.593 HG22 ' N ' ' A' ' 110' ' ' ALA . 10.0 p -126.61 167.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.593 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -173.07 109.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 67.84 67.02 2.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 120.81 7.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -81.87 166.2 20.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -129.71 23.0 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.38 88.23 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 175.4 8.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.726 2.284 . . . . 0.0 112.322 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 118' ' ' SER . 1.2 pp -120.15 157.99 27.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.495 ' N ' HD12 ' A' ' 117' ' ' LEU . 84.7 p -114.94 141.95 27.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.657 0.741 . . . . 0.0 110.861 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.35 3.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.361 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -166.71 171.76 11.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -93.9 137.67 32.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -141.62 138.8 17.68 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.597 0.713 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.56 14.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.34 -45.64 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 126' ' ' ALA . 5.9 p90 -71.59 -55.22 8.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' TYR . . . 36.75 40.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 30.9 p -136.38 139.12 42.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.7 t -112.33 122.63 48.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 179.32 147.8 7.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.9 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.741 2.294 . . . . 0.0 112.346 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 77.2 p -162.91 130.62 3.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.9 m -140.06 148.47 41.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 m -104.64 176.98 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.859 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -115.21 95.53 5.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.63 51.21 0.62 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m -98.13 103.63 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -147.23 130.21 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.6 178.69 42.5 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -153.79 109.76 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -161.19 137.26 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -48.66 -46.09 39.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.603 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 37.8 m-85 -118.97 84.34 25.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.677 0.751 . . . . 0.0 110.894 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.25 8.14 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.9 26.47 19.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -142.9 124.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.464 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -122.79 116.21 23.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.6 mt -107.56 137.29 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CD2' ' NH2' ' A' ' 70' ' ' ARG . 45.5 t80 -115.65 126.91 54.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.7 mt -100.84 127.57 47.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 22' ' ' ARG . 4.6 t -75.22 157.87 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.611 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 2.2 mm-40 -87.97 -69.1 0.12 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.611 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.73 -51.75 0.37 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.65 2.233 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' HB2' HG11 ' A' ' 19' ' ' VAL . 36.6 mmt-85 -51.7 -56.05 15.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.1 ttm -77.79 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.46 155.58 7.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 26' ' ' SER . 35.5 ptt180 -73.79 -43.28 59.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.877 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 39.4 m -87.02 -48.53 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -46.42 -55.2 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ARG . 4.2 tmt_? -34.46 -60.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.37 66.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -41.41 -60.19 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 89' ' ' LEU . 65.9 mt -65.28 -46.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 31' ' ' LEU . 98.8 m -35.33 -55.28 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.48 -41.88 57.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.616 HD23 HD13 ' A' ' 93' ' ' LEU . 35.0 tp -52.66 -54.04 38.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.724 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.9 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -38.44 -39.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.7 t -66.64 -44.76 81.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' ALA . 36.0 mmtt -65.89 -50.59 63.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 147.7 35.65 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.724 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 21.3 m-85 -126.79 127.05 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.374 . . . . 0.0 110.865 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -79.44 113.6 17.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.4 133.18 32.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD11 ' HB1' ' A' ' 15' ' ' ALA . 33.6 mt -86.44 142.41 28.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -77.48 -57.33 3.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.05 160.1 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.3 p -48.16 115.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.1 t -142.77 153.7 43.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 m -45.87 -43.55 13.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.613 ' O ' HG23 ' A' ' 51' ' ' THR . 29.2 mm-40 -39.24 -44.62 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.92 118.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.613 HG23 ' O ' ' A' ' 49' ' ' GLU . 17.2 p -121.8 -27.84 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.578 ' HB3' HD12 ' A' ' 84' ' ' LEU . 22.3 m80 -137.67 116.0 11.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -95.57 125.44 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.45 HG11 HD22 ' A' ' 89' ' ' LEU . 98.0 t -100.19 123.29 52.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.8 mtt -127.29 129.89 48.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -99.69 143.3 30.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 46.0 50.34 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 88.3 m -125.16 146.21 49.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.1 m -86.83 152.4 22.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.47 -46.79 48.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.9 -44.52 73.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -51.88 -50.48 60.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.9 -60.12 2.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.7 t -47.89 -44.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -53.25 -57.89 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -52.11 -38.24 56.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.424 HE21 HD21 ' A' ' 83' ' ' LEU . 7.4 tp-100 -61.17 -41.8 97.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -45.29 -48.88 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.2 mmt180 -43.91 -55.14 4.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' NH2' ' CD2' ' A' ' 17' ' ' TYR . 62.8 mtt180 -54.44 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.1 mmt -44.47 -23.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -77.55 -39.39 46.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.082 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.56 19.8 18.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -101.91 152.71 38.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.574 0.702 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.45 56.97 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 150.49 68.18 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.31 -40.89 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 4.1 t -50.42 125.43 12.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' HD2' ' A' ' 80' ' ' PRO . 91.1 m -88.99 132.79 36.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.626 0.727 . . . . 0.0 111.077 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.2 Cg_endo -69.73 146.28 59.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.47 56.85 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.42 115.64 17.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD21 HE21 ' A' ' 67' ' ' GLN . 52.3 mt -69.1 98.04 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.578 HD12 ' HB3' ' A' ' 52' ' ' HIS . 48.5 mt -99.02 172.71 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.422 ' HB3' HD21 ' A' ' 107' ' ' LEU . 50.0 p30 -105.58 150.36 25.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.68 HD13 HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -45.48 -44.58 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.505 ' N ' HG23 ' A' ' 86' ' ' ILE . 32.8 t -42.93 -46.52 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.497 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 62.9 t90 -56.99 -36.71 70.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 31' ' ' LEU . 20.4 tp -65.34 -55.22 19.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.68 HG23 HD13 ' A' ' 86' ' ' ILE . 43.0 p -56.95 -15.65 5.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -87.16 -35.75 18.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.6 m -75.46 -42.52 52.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD13 HD23 ' A' ' 34' ' ' LEU . 9.7 mt -60.28 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.72 -15.98 67.33 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.39 -13.55 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 111.123 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.72 -11.95 31.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -136.74 152.07 73.71 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.604 0.716 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.603 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.79 108.31 2.06 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 m -67.55 151.95 96.69 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 111.15 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 126.11 12.94 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.1 t -41.43 134.06 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -102.11 177.18 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 42.7 t -74.51 -19.75 60.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -92.68 -25.99 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 36.7 m170 -69.13 -37.85 78.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -57.0 106.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.422 HD21 ' HB3' ' A' ' 85' ' ' ASP . 37.7 mt -89.49 109.97 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -164.74 155.19 14.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.62 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.3 p -126.02 170.26 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.62 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 109.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.87 63.83 2.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 120.16 7.0 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptp85 -71.56 136.99 47.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.68 22.77 15.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 148.57 -98.29 0.19 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -176.89 1.63 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.722 2.281 . . . . 0.0 112.378 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.87 75.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 m -156.73 126.29 3.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -50.3 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.56 176.73 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -106.82 137.37 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.8 mmt -135.5 134.83 21.34 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.51 0.671 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 175.2 8.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.74 -41.99 64.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 44.61 1.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.56 86.33 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 31.8 p -119.49 143.56 47.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.1 t -41.53 136.08 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 135.9 70.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 172.56 12.43 Favored 'Trans proline' 0 N--CA 1.465 -0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.8 m -169.08 144.94 3.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.7 p -140.36 174.5 10.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -49.76 165.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 m -111.27 -66.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.55 -144.12 7.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -145.59 157.18 44.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.825 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -127.85 102.82 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.86 -165.54 40.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -102.17 97.81 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.935 0.398 . . . . 0.0 110.859 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.3 t -171.07 151.07 3.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.093 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 8.5 mmt180 -45.71 -47.49 15.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 53.5 m-85 -134.77 89.09 26.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.621 0.724 . . . . 0.0 110.914 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 2.97 3.02 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.61 0.45 32.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.2 t -125.79 121.18 59.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -124.77 120.27 31.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.083 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -104.76 143.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 11.8 t80 -121.79 136.34 54.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.7 mt -105.92 123.84 48.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 47.7 t -77.77 117.72 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 3.4 mm-40 -44.32 -60.27 3.03 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.637 0.732 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.77 166.43 27.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.723 2.282 . . . . 0.0 112.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? 40.97 48.92 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 47.3 tpp -130.43 -59.11 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.54 176.68 18.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -77.32 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.804 0.335 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' ARG . 69.4 m -94.97 -41.19 9.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' SER . 37.5 mtt180 -36.79 -40.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttt180 -52.0 -57.29 9.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.36 -50.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -40.2 -48.17 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.403 HD22 HD23 ' A' ' 89' ' ' LEU . 23.0 mt -71.22 -47.45 57.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.566 HG23 HG11 ' A' ' 42' ' ' VAL . 90.1 m -44.32 -53.53 6.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.32 -44.71 51.4 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 HD23 HD13 ' A' ' 93' ' ' LEU . 14.3 tp -50.84 -60.81 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LYS . . . -43.6 -67.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -38.48 -49.54 1.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -59.15 -41.21 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.64 ' HG3' HD23 ' A' ' 93' ' ' LEU . 35.1 mmtm -64.88 -49.79 69.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 143.24 33.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.416 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 20.5 m-85 -123.78 135.77 54.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 ttt85 -81.95 109.45 16.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.566 HG11 HG23 ' A' ' 32' ' ' THR . 73.4 t -92.56 130.19 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.3 mt -84.17 146.05 28.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.3 -46.68 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' O ' ' CE1' ' A' ' 17' ' ' TYR . . . -133.23 -71.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.9 t -165.54 150.9 9.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 49' ' ' GLU . 2.0 m -174.06 153.8 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -44.05 -22.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 51' ' ' THR . 24.7 mm-40 -61.06 -42.81 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.97 95.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 49' ' ' GLU . 70.3 p -93.02 -20.97 20.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.652 ' CE1' ' HG1' ' A' ' 51' ' ' THR . 14.8 m80 -152.76 135.46 15.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG23 ' HB2' ' A' ' 81' ' ' PRO . 89.2 t -112.91 126.06 70.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.099 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG21 HD13 ' A' ' 89' ' ' LEU . 76.2 t -96.84 129.75 46.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.6 mtt -128.41 122.16 30.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 57' ' ' GLU . 17.1 mt-10 -91.53 155.37 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 56' ' ' GLU . 18.8 mm-40 35.92 37.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.4 m -112.65 140.06 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.2 m -75.75 179.53 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -76.17 -43.05 44.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.13 -42.45 80.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -49.81 -57.58 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.29 -70.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.42 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 6.2 p -45.47 -39.84 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 t -61.2 -49.83 75.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.7 t90 -69.48 -21.1 63.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.931 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.1 tt0 -68.95 -44.78 72.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.77 -36.38 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -53.53 -34.94 60.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.54 -60.43 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.5 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 5.8 mmt -49.47 -30.92 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.79 10.99 19.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 71' ' ' MET . . . -94.6 146.02 30.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.588 0.709 . . . . 0.0 111.111 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 166.05 28.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.25 69.1 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.39 -41.48 2.29 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 1.6 t -50.26 126.35 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.682 HG23 ' HD2' ' A' ' 80' ' ' PRO . 92.0 m -84.24 139.11 39.06 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.543 0.687 . . . . 0.0 111.163 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.682 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.5 Cg_endo -69.83 145.53 57.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.5 Cg_endo -69.71 160.31 50.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.748 2.298 . . . . 0.0 112.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' HB3' ' CD2' ' A' ' 52' ' ' HIS . . . -91.63 106.32 18.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.931 HD11 ' HB2' ' A' ' 67' ' ' GLN . 51.0 mt -67.27 115.39 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.684 HD22 HG21 ' A' ' 101' ' ' VAL . 15.8 mt -123.73 173.58 8.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -105.65 154.43 20.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.563 HG23 ' N ' ' A' ' 87' ' ' SER . 0.0 OUTLIER -48.39 -47.85 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.563 ' N ' HG23 ' A' ' 86' ' ' ILE . 5.9 t -40.28 -44.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 67.9 t90 -58.22 -42.05 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD13 HG21 ' A' ' 54' ' ' VAL . 15.0 tp -59.45 -63.0 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.806 ' HA ' HD12 ' A' ' 93' ' ' LEU . 68.1 p -47.74 -38.53 15.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -65.64 -40.05 92.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.1 m -71.22 -40.41 71.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 90' ' ' THR . 6.7 mt -61.71 -54.73 38.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.62 -16.18 49.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.11 -15.87 18.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.072 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.95 -9.6 30.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -135.36 151.81 75.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.4 Cg_endo -69.85 108.35 2.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.59 151.92 96.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 94.98 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.73 2.287 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.684 HG21 HD22 ' A' ' 84' ' ' LEU . 1.9 p -38.55 143.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.87 176.37 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.3 p -61.88 -35.97 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ttm-85 -67.78 -19.98 65.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -83.52 -50.94 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.3 mtt180 -42.8 159.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 mt -129.45 102.95 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.442 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 45.9 tt0 -151.31 161.13 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 110' ' ' ALA . 3.9 p -128.98 170.86 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.617 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 134.22 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 49.63 73.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' O ' ' C ' ' A' ' 113' ' ' ARG . 53.8 Cg_endo -69.75 138.05 36.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.379 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 112' ' ' PRO . 11.5 ptp180 33.39 42.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -142.85 159.2 42.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.98 64.96 0.58 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.84 3.19 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.353 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.567 ' H ' HD23 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -111.44 143.61 41.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 m -120.81 79.14 31.55 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.702 0.763 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.56 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.728 2.286 . . . . 0.0 112.305 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -169.06 128.62 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -101.22 176.35 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 70.4 mtp -115.76 140.35 25.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.573 0.701 . . . . 0.0 110.837 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.458 ' HB2' ' CD1' ' A' ' 125' ' ' TYR . 54.1 Cg_endo -69.77 163.35 38.59 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.81 -38.89 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.458 ' CD1' ' HB2' ' A' ' 123' ' ' PRO . 8.4 p90 -54.14 -43.34 70.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.437 ' N ' ' CG ' ' A' ' 125' ' ' TYR . . . -39.22 126.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 32.0 p -141.99 158.98 43.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 m -94.3 128.67 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 171.37 84.64 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 133.21 25.11 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.35 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -75.01 162.18 28.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.2 p -151.5 149.44 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -110.04 -60.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.899 0.381 . . . . 0.0 110.884 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -100.04 95.02 6.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.65 152.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -131.03 -44.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.916 0.388 . . . . 0.0 110.928 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 m -126.82 148.97 49.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.29 120.33 1.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.2 p -121.35 126.4 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.954 0.407 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -168.74 140.1 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.15 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -44.77 -53.17 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.6 m-85 -122.03 89.85 48.57 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.653 0.74 . . . . 0.0 110.887 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -45.28 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.15 -37.0 45.57 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.595 HG13 ' CE1' ' A' ' 52' ' ' HIS . 85.5 t -82.47 105.66 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -112.67 122.69 48.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.6 mt -108.2 135.72 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -114.55 123.02 48.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.51 119.94 28.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 79.2 t -70.58 107.27 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 21.7 mt-10 -39.46 -60.11 1.38 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.651 0.739 . . . . 0.0 110.84 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 54.0 Cg_endo -69.74 147.46 63.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.366 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.2 mtt85 55.99 51.09 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.9 tpp -131.92 -43.12 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.09 177.76 15.03 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.49 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -86.12 -64.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 27' ' ' ARG . 75.1 m -87.11 -47.77 8.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 26' ' ' SER . 18.5 tpp180 -34.55 -56.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -41.95 -55.43 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.62 -51.9 44.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' CZ ' HD22 ' A' ' 34' ' ' LEU . 14.6 t80 -39.27 -41.6 0.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.4 mt -75.32 -49.42 19.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.5 m -39.51 -55.18 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.31 -45.14 56.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD23 HD13 ' A' ' 93' ' ' LEU . 12.6 tp -53.4 -63.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.5 -62.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.471 ' HG3' HG23 ' A' ' 42' ' ' VAL . 20.3 mtp180 -41.17 -45.15 2.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -63.42 -42.46 98.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.544 ' HG3' HD23 ' A' ' 93' ' ' LEU . 49.9 mmtt -62.64 -48.21 80.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.08 31.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 38' ' ' LYS . 10.1 m-85 -121.59 123.71 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt85 -72.35 117.41 13.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG23 ' HG3' ' A' ' 36' ' ' ARG . 95.3 t -89.12 122.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 HD11 ' HB1' ' A' ' 15' ' ' ALA . 27.5 mt -86.5 135.1 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.54 -62.1 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.77 -74.66 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.5 p -171.36 119.04 0.47 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.1 m -125.38 37.14 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.0 t 48.77 29.48 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.637 ' O ' HG23 ' A' ' 51' ' ' THR . 11.6 mt-10 -114.9 -29.94 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.63 120.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' GLU . 19.3 p -126.47 -29.88 2.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.595 ' CE1' HG13 ' A' ' 14' ' ' VAL . 4.5 m80 -132.41 112.15 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -93.95 133.98 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.562 HG13 ' HA ' ' A' ' 86' ' ' ILE . 46.8 t -104.11 131.86 51.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.846 ' SD ' HG21 ' A' ' 58' ' ' THR . 22.3 mtt -134.36 144.07 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLU . 18.6 mt-10 -109.83 144.12 38.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . 7.1 pt-20 34.32 39.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.846 HG21 ' SD ' ' A' ' 55' ' ' MET . 52.7 m -104.16 137.5 42.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -69.87 170.53 10.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -69.32 -38.73 78.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -76.0 -41.19 51.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -50.58 -33.71 23.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.78 -70.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 10.1 p -49.18 -29.86 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 t -82.04 -37.12 26.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.37 -25.1 64.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -79.32 -28.73 42.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 5.5 mm-40 -53.43 -42.44 67.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 60.3 mmt-85 -49.88 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 74' ' ' ALA . 17.8 mtp180 -58.78 -62.45 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.7 mmt -41.01 -32.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.6 -52.67 11.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.133 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -98.79 30.23 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -99.83 152.78 37.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.548 0.689 . . . . 0.0 111.116 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 156.44 63.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 125.84 12.58 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.34 -35.93 4.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.69 133.59 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.909 0.385 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.559 HG23 ' HD2' ' A' ' 80' ' ' PRO . 52.8 m -91.84 137.77 25.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.83 115.08 3.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 142.43 47.66 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.31 110.21 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.3 mt -67.17 115.26 6.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.621 ' O ' HD11 ' A' ' 107' ' ' LEU . 27.9 mt -115.55 176.27 5.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -105.78 150.19 25.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.562 ' HA ' HG13 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -44.04 -42.86 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.474 ' N ' HG23 ' A' ' 86' ' ' ILE . 11.0 t -41.05 -44.22 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.417 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 76.2 t90 -55.77 -54.27 46.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.0 tp -47.31 -64.86 0.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.497 HG23 HD13 ' A' ' 86' ' ' ILE . 78.4 p -44.82 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -63.22 -40.72 98.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 44.3 m -65.63 -52.41 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.689 HD13 HD23 ' A' ' 34' ' ' LEU . 12.8 mt -54.52 -53.28 56.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -59.23 -16.21 33.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.92 -13.08 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.81 17.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.544 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -134.58 152.46 77.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.5 Cg_endo -69.82 108.89 2.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.9 m -73.08 152.71 90.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 130.64 19.65 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.534 HG13 HD22 ' A' ' 84' ' ' LEU . 60.3 t -56.05 146.52 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HG2' ' CG ' ' A' ' 105' ' ' HIS . 11.7 pt-20 -127.46 173.91 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.58 -51.32 67.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -56.44 -40.61 75.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.441 ' CG ' ' HG2' ' A' ' 102' ' ' GLU . 32.9 m170 -58.31 -51.5 69.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -48.03 151.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.621 HD11 ' O ' ' A' ' 84' ' ' LEU . 4.9 mt -133.75 111.74 10.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.465 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 6.3 tt0 -160.31 164.5 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.574 HG22 ' H ' ' A' ' 110' ' ' ALA . 6.0 p -134.88 168.52 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.574 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.09 137.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 50.92 64.95 3.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 121.66 8.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.362 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 mtm-85 -124.15 158.56 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -106.76 22.78 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 140.86 84.84 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.45 10.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.647 2.232 . . . . 0.0 112.382 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.457 HD12 ' C ' ' A' ' 117' ' ' LEU . 1.7 pp -137.12 128.69 28.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.3 p -127.31 142.84 45.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.678 0.751 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -50.12 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -168.97 170.25 9.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -101.57 149.33 24.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.474 ' HB3' ' CB ' ' A' ' 126' ' ' ALA . 21.7 mtp -156.77 128.85 4.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.702 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.434 ' HB2' ' CE1' ' A' ' 125' ' ' TYR . 53.8 Cg_endo -69.75 164.56 34.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.668 2.246 . . . . 0.0 112.378 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -48.07 -39.84 21.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.062 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.434 ' CE1' ' HB2' ' A' ' 123' ' ' PRO . 27.7 p90 -83.07 41.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 122' ' ' MET . . . -117.36 99.71 7.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.082 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 34.7 m -109.96 91.33 3.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.8 t -166.34 144.08 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 173.46 132.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 168.76 20.54 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.3 p -154.15 151.86 29.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.2 t -89.25 -59.7 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -62.93 120.52 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 m -154.99 148.73 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.94 -165.45 9.0 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -174.84 172.88 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.846 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -124.7 134.95 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 67.89 79.35 0.25 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 9.1 m -34.53 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.944 0.402 . . . . 0.0 110.884 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -124.15 153.12 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -73.35 -42.21 62.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.588 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.7 m-85 -117.39 83.04 15.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -25.79 28.43 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.91 29.98 5.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.72 HG13 ' CE1' ' A' ' 52' ' ' HIS . 97.2 t -149.87 117.38 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.812 0.339 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.33 117.29 27.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.0 mt -102.8 139.7 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -119.56 145.28 46.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.71 HD23 ' HB ' ' A' ' 54' ' ' VAL . 6.0 mt -123.55 128.98 50.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.967 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 23' ' ' MET . 47.5 t -56.02 151.53 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.59 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.8 mp0 -84.81 -67.54 0.18 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.636 0.731 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.59 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.6 Cg_endo -69.8 -89.92 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.691 ' NH1' HG21 ' A' ' 58' ' ' THR . 4.1 ttm180 -25.72 -67.32 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.468 ' CB ' ' HB ' ' A' ' 19' ' ' VAL . 27.9 tpp -56.2 -47.27 78.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 21' ' ' PRO . . . 129.0 152.77 7.77 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -86.77 -55.05 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.851 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 p -74.84 -46.13 38.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -55.98 -39.73 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -50.39 -52.99 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.97 22.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -41.16 -65.12 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD22 HD23 ' A' ' 89' ' ' LEU . 21.7 mt -64.23 -48.8 74.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.505 ' CG2' ' NH2' ' A' ' 36' ' ' ARG . 79.3 m -36.8 -61.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.212 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.41 98.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD23 HD13 ' A' ' 93' ' ' LEU . 19.8 tp -54.3 -55.26 30.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -54.01 -52.66 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.505 ' NH2' ' CG2' ' A' ' 32' ' ' THR . 77.6 mtt180 -45.36 -40.25 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.8 t -67.56 -42.14 83.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.536 ' HG3' HD23 ' A' ' 93' ' ' LEU . 68.3 mmtt -64.3 -44.41 91.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 132.57 30.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 62.2 m-85 -109.42 128.16 54.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -78.92 109.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.8 t -95.86 135.6 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 16.7 mt -94.81 144.83 25.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.53 -47.61 15.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.48 168.71 9.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.1 m -77.11 115.69 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.0 p -142.25 163.84 31.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.0 p -49.88 -42.02 46.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.0 -39.39 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.18 105.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.149 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -94.22 -29.86 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.72 ' CE1' HG13 ' A' ' 14' ' ' VAL . 1.9 m80 -134.54 156.55 48.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -137.07 126.04 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.71 ' HB ' HD23 ' A' ' 18' ' ' LEU . 35.1 t -95.81 134.94 31.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 6.3 mtt -142.37 142.03 32.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.43 156.41 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 39.69 47.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.691 HG21 ' NH1' ' A' ' 22' ' ' ARG . 86.1 m -126.54 135.31 51.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.5 p -76.01 163.42 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -63.26 -37.0 85.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.12 -42.42 60.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.37 -60.77 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.712 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -41.85 -58.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 108' ' ' GLU . 46.2 t -50.37 -29.68 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -76.15 -35.92 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -72.89 -27.2 61.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' HB3' HD11 ' A' ' 83' ' ' LEU . 4.5 pt20 -84.99 -24.3 28.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.13 -53.12 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mmm-85 -39.88 -42.31 1.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ALA . 21.5 mtp85 -67.82 -60.41 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 69.9 mmm -44.25 -33.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.51 -55.16 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.49 27.19 9.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -75.03 154.33 86.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.606 0.717 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 162.69 41.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.293 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 126.47 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.02 11.97 66.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.1 t -73.9 157.44 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 80' ' ' PRO . 95.9 m -117.36 139.06 25.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.582 0.706 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.4 Cg_endo -69.8 116.85 4.75 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 155.08 66.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.62 109.12 21.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.712 HD13 ' HB1' ' A' ' 63' ' ' ALA . 14.7 mt -74.85 99.09 3.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 88' ' ' TRP . 39.1 mt -97.22 167.04 11.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -105.98 157.1 17.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.6 tp -44.42 -33.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.4 t -51.88 -41.5 61.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.412 ' CD2' HD13 ' A' ' 84' ' ' LEU . 69.7 t90 -64.39 -50.95 65.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.477 HD23 HD22 ' A' ' 31' ' ' LEU . 20.4 tp -52.54 -59.86 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 p -46.33 -44.7 16.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.87 -31.84 72.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.6 m -77.29 -47.35 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.536 HD23 ' HG3' ' A' ' 38' ' ' LYS . 19.1 mt -59.47 -47.02 87.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.24 -14.57 68.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.2 -14.52 15.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.6 -10.4 17.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 11' ' ' PHE . 21.4 pt20 -132.65 152.25 79.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.588 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.0 Cg_endo -69.81 108.6 2.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.3 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.16 152.66 92.54 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.146 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 123.16 9.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 86.7 t -47.12 146.2 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 5.0 pt-20 -131.16 178.05 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 15.6 m -54.11 -61.43 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -47.08 -41.94 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.478 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 56.0 m170 -60.45 -49.83 76.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -50.07 120.37 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.37 75.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.606 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 16.2 tt0 -130.91 158.81 39.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.61 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.3 p -120.83 170.33 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.61 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.14 124.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.32 67.04 2.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 127.6 14.81 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -126.68 136.44 52.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -96.39 160.52 14.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 64.89 -151.31 51.33 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 177.47 5.52 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.657 2.238 . . . . 0.0 112.385 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.499 HD12 ' C ' ' A' ' 117' ' ' LEU . 1.7 pp -134.67 152.14 51.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 52.1 p -138.56 143.9 40.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.661 2.24 . . . . 0.0 112.359 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -173.92 -175.08 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -121.01 137.3 54.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 31.9 mmm -139.05 133.57 16.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -173.86 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.55 -28.39 11.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 1.7 p90 -90.01 35.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -87.51 89.04 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.064 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 26.8 p -173.15 136.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 34.9 p -142.7 175.91 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.93 83.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 166.37 27.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.372 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.8 t -157.75 -177.0 6.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.6 t -155.15 177.66 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -120.71 116.31 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 47.2 43.19 14.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.33 64.77 3.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -59.99 147.64 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -81.35 -47.95 12.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.69 -72.08 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 76.6 p -161.59 146.47 13.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 t -39.82 160.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -57.85 -39.89 78.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.426 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 9.4 m-85 -131.71 81.37 63.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.727 0.775 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.72 12.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.83 27.29 19.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.3 t -148.1 107.39 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.99 113.91 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' A' ' 40' ' ' PHE . 4.0 mp -90.81 147.88 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -127.07 124.72 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.2 mt -86.01 121.66 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 20' ' ' GLU . 89.9 t -71.01 94.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 16.2 mt-10 -33.49 -60.17 0.44 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.65 0.738 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.75 125.33 12.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 74.65 36.59 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.5 tpp -123.71 -54.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 132.04 154.1 7.59 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -72.83 -57.19 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.851 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -96.28 -11.07 26.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -70.04 -37.67 75.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -56.75 -54.48 45.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.3 -43.96 89.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 4.7 t80 -40.86 -40.97 1.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.0 mt -89.7 -45.99 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.441 HG23 HG11 ' A' ' 42' ' ' VAL . 98.2 m -38.1 -66.26 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.66 81.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.0 -60.8 3.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -52.27 -47.39 65.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -45.31 -52.01 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -59.31 -32.21 69.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.616 ' HG3' HD23 ' A' ' 93' ' ' LEU . 55.1 mmtt -72.99 -49.15 30.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.62 32.83 0.15 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.658 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 35.3 m-85 -119.47 116.29 25.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -71.27 110.77 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.441 HG11 HG23 ' A' ' 32' ' ' THR . 39.4 t -90.92 127.27 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.3 mt -81.43 129.35 34.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -64.65 -48.77 73.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.49 174.66 6.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.38 108.05 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 t -128.38 168.43 15.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -60.62 -36.06 77.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.74 ' O ' HG23 ' A' ' 51' ' ' THR . 39.4 mt-10 -44.41 -37.1 3.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.77 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.74 HG23 ' O ' ' A' ' 49' ' ' GLU . 38.5 p -108.13 -29.43 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -136.53 113.66 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.44 HG11 ' CZ3' ' A' ' 66' ' ' TRP . 12.2 t -94.06 130.38 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.36 128.83 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.082 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.423 ' SD ' HG21 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -123.96 148.08 47.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.88 145.46 46.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 42.44 41.29 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 59' ' ' SER . 25.1 m -115.26 158.16 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 58' ' ' THR . 17.6 m -92.13 165.67 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.49 -47.3 82.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.69 -44.87 63.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -49.33 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -49.31 -55.37 13.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.434 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 60.6 t -48.68 -39.26 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -58.53 -57.16 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.48 ' CZ2' ' HD2' ' A' ' 70' ' ' ARG . 52.9 t90 -53.25 -31.25 42.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 83' ' ' LEU . 6.9 tp-100 -71.5 -39.21 70.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -62.48 -40.5 96.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -58.88 -29.64 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.48 ' HD2' ' CZ2' ' A' ' 66' ' ' TRP . 4.6 mtp-105 -82.38 -61.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 6.1 mmt -40.13 -31.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -74.21 -45.43 48.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -101.44 21.86 13.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.62 146.81 33.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 160.72 48.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.31 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.28 37.41 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.34 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 94.63 -28.93 9.83 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.84 155.32 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -116.98 130.46 24.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 0.0 111.157 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 113.64 3.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.335 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.47 38.12 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.56 126.31 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 67' ' ' GLN . 56.9 mt -78.8 101.36 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -118.26 176.22 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' OD1' ' C ' ' A' ' 85' ' ' ASP . 42.2 p30 -106.16 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.1 tp -63.02 -30.13 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -52.9 -29.18 26.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -72.53 -48.37 40.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.09 -56.12 22.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.473 ' HA ' HD12 ' A' ' 93' ' ' LEU . 5.2 p -43.39 -34.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -74.18 -45.92 45.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.1 m -60.84 -29.49 69.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.616 HD23 ' HG3' ' A' ' 38' ' ' LYS . 19.1 mt -73.59 -50.96 18.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.35 -10.35 59.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.75 -16.7 14.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.095 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.02 -9.17 47.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -136.72 151.5 72.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.594 0.711 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.426 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.6 Cg_endo -69.7 108.33 2.04 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.381 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.58 151.66 91.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 130.59 19.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 102' ' ' GLU . 78.1 t -37.94 154.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 105' ' ' HIS . 72.0 mt-10 -135.77 158.91 43.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 67.0 m -50.79 -31.46 16.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -75.73 -43.32 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.49 ' CE1' ' HB2' ' A' ' 102' ' ' GLU . 13.8 m170 -60.36 -49.12 78.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -43.78 123.77 3.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.89 67.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -123.94 165.24 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.621 HG22 ' H ' ' A' ' 110' ' ' ALA . 7.5 p -134.37 170.85 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.621 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.08 113.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.94 64.82 2.06 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 143.04 49.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -71.66 114.81 10.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 30.0 tptt -143.67 154.92 44.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 92.83 -168.06 30.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 172.04 13.29 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.728 2.285 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.746 ' H ' HD23 ' A' ' 117' ' ' LEU . 0.9 OUTLIER -110.7 146.44 36.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -122.2 77.21 42.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.69 0.757 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 90.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.23 108.8 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -106.34 175.88 5.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 21.7 mtp -120.6 140.71 30.89 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -174.26 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.317 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.25 -1.9 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -115.59 45.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -120.75 38.15 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 17.5 t -97.1 96.72 8.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.6 m -83.64 154.41 23.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 146.56 154.57 6.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 121.43 8.11 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.694 2.263 . . . . 0.0 112.324 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 83.8 p -104.31 157.65 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.0 t -141.75 173.3 11.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -97.62 88.61 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.869 0.366 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m -158.72 153.12 24.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.58 44.26 3.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -117.72 125.28 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -173.27 130.35 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.54 -76.58 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.5 t -52.85 141.11 22.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.919 0.39 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.0 t -54.92 156.84 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -57.57 -43.32 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.597 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 11.5 m-85 -127.45 87.05 57.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -39.84 5.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.13 51.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.59 HG13 ' CE1' ' A' ' 52' ' ' HIS . 98.1 t -95.73 110.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.76 113.03 24.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 40' ' ' PHE . 19.5 mt -100.69 135.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.585 ' CE1' ' O ' ' A' ' 18' ' ' LEU . 4.0 t80 -127.86 129.57 47.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.585 ' O ' ' CE1' ' A' ' 17' ' ' TYR . 2.7 mt -95.38 165.51 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.593 HG12 ' N ' ' A' ' 20' ' ' GLU . 10.6 t -93.16 169.0 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 4.6 mm-40 -96.03 -70.55 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.664 0.745 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.637 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.73 -54.13 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 1.6 mmp_? -35.19 -53.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.446 ' HE1' ' H ' ' A' ' 19' ' ' VAL . 3.2 mpp? -99.06 -69.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.06 133.66 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -46.7 -49.56 19.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.815 0.34 . . . . 0.0 110.912 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -69.84 -53.88 16.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -44.96 -38.9 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' HD13 ' A' ' 18' ' ' LEU . 5.1 mmp_? -60.99 -66.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 28' ' ' ARG . . . -35.95 -38.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -54.53 -54.15 44.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LEU . 12.0 mt -76.22 -45.77 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.599 HG23 HG11 ' A' ' 42' ' ' VAL . 99.2 m -34.14 -46.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.56 -33.4 31.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.524 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 24.1 tp -60.94 -57.67 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.954 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -51.67 -44.04 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t -62.46 -24.38 67.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -82.82 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.12 34.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.582 ' HB3' HD12 ' A' ' 16' ' ' ILE . 16.0 m-85 -125.59 124.0 40.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.867 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -73.41 113.55 10.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG11 HG23 ' A' ' 32' ' ' THR . 88.7 t -93.53 125.84 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 mt -88.05 129.62 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.36 -55.53 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.93 145.15 38.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.3 p -48.32 129.56 15.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 87.0 p -152.38 165.57 34.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' GLU . 20.9 m -52.81 -49.19 66.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.645 ' O ' HG23 ' A' ' 51' ' ' THR . 5.9 mt-10 -35.98 -44.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -35.56 106.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.056 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 49' ' ' GLU . 25.9 p -106.54 -28.65 10.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.59 ' CE1' HG13 ' A' ' 14' ' ' VAL . 2.6 m80 -135.13 130.1 34.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.81 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG23 ' HB2' ' A' ' 81' ' ' PRO . 61.3 t -111.89 128.24 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.0 t -104.48 139.64 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 9.3 mtt -142.37 154.81 44.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -123.89 151.62 43.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 43.68 35.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.4 m -111.16 140.38 45.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.0 m -79.02 163.91 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.36 -35.87 78.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -86.18 -30.28 22.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -57.76 -41.43 81.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.814 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -60.12 -51.27 70.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -52.88 -31.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.2 -28.26 48.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.425 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 14.3 t90 -80.94 -23.41 38.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -86.4 -31.96 21.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -49.02 -43.33 40.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 22.9 mmt180 -56.57 -30.59 63.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 70' ' ' ARG . 5.2 mmm180 -63.18 -71.09 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.517 ' HA ' ' HB3' ' A' ' 74' ' ' ALA . 6.0 mmt -45.8 -25.46 0.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -64.58 -39.71 94.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.39 9.53 15.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 71' ' ' MET . . . -87.06 156.59 54.75 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.6 0.714 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.2 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 124.18 10.84 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.222 . . . . 0.0 112.375 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 110.49 -38.59 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 2.3 m -60.1 130.77 48.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.66 HG23 ' HD2' ' A' ' 80' ' ' PRO . 99.8 m -80.53 138.85 51.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.547 0.689 . . . . 0.0 111.171 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.73 142.1 47.12 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.542 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.5 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.35 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.28 128.15 35.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.814 HD13 ' HB1' ' A' ' 63' ' ' ALA . 35.2 mt -84.23 94.37 8.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.627 HD22 HG21 ' A' ' 101' ' ' VAL . 7.7 mt -99.71 171.34 7.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -105.62 152.94 22.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.9 tp -47.19 -25.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.5 m -53.42 -34.93 59.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.572 ' HB2' ' CD2' ' A' ' 105' ' ' HIS . 66.7 t90 -75.99 -41.41 51.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.0 tp -58.16 -61.68 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.696 ' HA ' HD12 ' A' ' 93' ' ' LEU . 45.9 p -44.09 -55.17 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -49.87 -49.14 50.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 31.6 m -57.97 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 90' ' ' THR . 12.7 mt -64.94 -41.89 95.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -75.25 -10.68 84.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.488 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.97 -14.88 14.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.118 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.27 -10.09 17.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -133.37 152.35 79.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.597 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.3 Cg_endo -69.77 108.1 2.01 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.412 HG23 ' NE1' ' A' ' 88' ' ' TRP . 15.3 m -71.07 153.3 94.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 0.0 111.15 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 90.06 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.279 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.627 HG21 HD22 ' A' ' 84' ' ' LEU . 2.2 p -37.63 133.75 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -104.06 170.76 7.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.9 t -57.49 -39.54 76.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -58.9 -40.59 84.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 88' ' ' TRP . 6.8 m170 -62.4 -37.52 86.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -62.09 144.08 55.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.3 mt -113.83 103.02 10.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -148.71 154.4 39.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.618 HG22 ' N ' ' A' ' 110' ' ' ALA . 13.7 p -123.89 166.68 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.618 ' N ' HG22 ' A' ' 109' ' ' VAL . . . -172.15 110.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.079 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 71.35 65.71 2.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 123.32 10.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.724 2.282 . . . . 0.0 112.36 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -44.53 126.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.442 ' CD ' ' O ' ' A' ' 114' ' ' LYS . 1.9 tmtm? -113.5 22.71 13.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.17 76.03 0.98 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.494 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -179.17 2.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.467 HD12 ' O ' ' A' ' 118' ' ' SER . 3.5 pp -126.02 157.08 38.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.467 ' O ' HD12 ' A' ' 117' ' ' LEU . 54.1 p -65.28 122.5 80.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.73 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.89 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.656 2.237 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 65.78 26.24 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -106.0 178.88 4.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.474 ' HB3' ' CB ' ' A' ' 126' ' ' ALA . 26.2 mtp -120.36 141.56 32.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.717 . . . . 0.0 110.881 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.74 178.76 4.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -67.61 -33.63 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.518 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 9.8 p90 -89.24 25.67 1.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 122' ' ' MET . . . -97.0 43.72 1.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 32.1 p -168.47 167.63 11.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 95.4 p -157.76 168.23 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -161.11 143.68 9.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 133.53 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.4 p -144.29 116.13 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.863 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.9 m -137.19 155.67 49.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -53.85 176.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -86.13 167.72 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.17 -140.64 2.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -55.72 178.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -164.55 177.68 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' SER . . . -73.94 -39.84 45.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.434 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' THR . 45.3 t -38.07 157.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.953 0.406 . . . . 0.0 110.811 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.1 t -34.09 146.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -53.06 -45.17 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 2.6 m-85 -129.73 84.63 60.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -44.99 -32.32 3.19 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.86 HG23 ' CE1' ' A' ' 52' ' ' HIS . 2.4 p -98.08 110.95 26.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.863 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.64 110.55 19.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mt -89.31 134.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 17' ' ' TYR . 3.1 t80 -120.74 124.69 45.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.24 130.87 34.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' GLU . 66.1 t -86.82 102.27 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.134 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 6.2 mt-10 -37.7 -60.24 0.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.8 Cg_endo -69.74 144.99 55.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.363 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 60.13 42.3 15.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.9 ttm -131.27 -67.55 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.7 171.32 22.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -80.52 -57.53 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.1 p -90.5 -43.74 10.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -39.19 -58.04 1.23 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.6 tmm_? -36.78 -64.62 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.23 -54.43 41.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -40.06 -43.89 1.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.6 mt -73.83 -44.81 54.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.719 ' O ' HG21 ' A' ' 42' ' ' VAL . 20.8 m -41.12 -60.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.85 -39.02 94.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD23 HD13 ' A' ' 93' ' ' LEU . 9.5 tp -53.56 -59.08 5.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -46.77 -70.66 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 37' ' ' SER . 4.6 ptp180 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 36' ' ' ARG . 45.4 t -65.52 -40.49 93.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HG3' ' CD2' ' A' ' 93' ' ' LEU . 37.5 mmtt -69.58 -41.84 75.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.81 31.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.515 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 18.0 m-85 -126.46 126.1 43.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -65.26 113.16 3.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 32' ' ' THR . 30.3 t -90.92 119.32 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.863 HD11 ' HB1' ' A' ' 15' ' ' ALA . 5.9 mt -92.25 144.36 25.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.49 -33.61 12.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -139.72 158.29 44.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.087 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.05 109.3 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.7 m -128.17 43.77 3.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.2 m 54.84 28.95 11.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.32 -36.77 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -45.09 107.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -106.67 -33.01 7.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.86 ' CE1' HG23 ' A' ' 14' ' ' VAL . 12.9 m80 -131.18 116.59 17.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.7 t -94.65 138.29 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.9 t -111.41 134.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 34.5 mtt -140.9 145.84 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -112.82 144.46 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 44.54 51.48 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.9 m -120.72 144.7 48.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 t -82.59 156.22 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.76 -48.99 66.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.106 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -75.23 -42.42 55.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -41.76 -59.65 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -43.11 -60.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.8 t -39.52 -45.6 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 t -50.5 -53.67 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 26.8 t90 -65.59 -34.18 77.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HB2' HD11 ' A' ' 83' ' ' LEU . 29.1 tt0 -58.19 -55.93 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ARG . 41.6 mm-40 -47.46 -50.67 22.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' GLU . 22.2 mmt180 -34.54 -46.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -59.93 -62.61 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -40.03 -29.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.32 -51.68 10.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.89 31.22 3.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.55 152.33 46.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.729 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 167.72 23.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.357 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 137.52 35.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.05 -41.86 2.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.7 t -51.51 123.6 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.857 0.36 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.74 153.87 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.598 0.713 . . . . 0.0 111.088 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 125.37 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.328 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 158.45 56.85 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.369 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.22 113.1 8.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' A' ' 63' ' ' ALA . 87.2 mt -70.72 116.53 11.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.6 mt -121.73 166.89 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.475 ' HB3' HD21 ' A' ' 107' ' ' LEU . 32.6 p30 -107.15 155.46 19.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.748 HG13 HG23 ' A' ' 90' ' ' THR . 9.5 tp -39.24 -42.28 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.473 ' N ' HG23 ' A' ' 86' ' ' ILE . 39.6 t -37.94 -47.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -59.31 -62.77 1.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.53 ' HG ' HD11 ' A' ' 93' ' ' LEU . 19.8 tp -48.04 -60.45 2.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.748 HG23 HG13 ' A' ' 86' ' ' ILE . 30.6 p -44.01 -39.19 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -71.64 -53.04 14.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.2 m -53.93 -41.78 68.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.72 HD13 HD23 ' A' ' 34' ' ' LEU . 22.5 mt -64.99 -53.39 46.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.25 -7.26 24.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.22 -21.48 12.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.085 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 85.18 -16.31 39.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -128.15 152.54 77.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.729 . . . . 0.0 110.89 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.461 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.1 Cg_endo -69.77 108.14 2.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.617 2.212 . . . . 0.0 112.345 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 27.7 m -71.92 152.4 93.03 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' VAL . 54.1 Cg_endo -69.72 114.05 3.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.623 2.216 . . . . 0.0 112.393 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' PRO . 97.5 t -33.84 146.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -129.33 158.13 39.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 2.1 m -47.48 -45.03 25.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -60.77 -39.9 90.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -65.37 -53.64 40.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -44.63 133.0 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 85' ' ' ASP . 77.6 mt -116.3 97.48 6.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -156.69 151.27 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.618 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.8 p -115.77 169.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.618 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.07 134.21 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 61.41 65.54 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.57 3.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 0.0 112.328 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -76.85 140.76 40.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -154.18 115.64 4.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 46.35 -157.78 0.42 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -175.55 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.374 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 117' ' ' LEU . 2.1 pt? -131.99 141.42 49.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.0 p -81.96 142.9 48.84 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -47.23 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -172.36 171.59 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -111.81 148.37 33.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 8.0 ptm -155.16 121.2 2.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.408 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.4 Cg_endo -69.8 171.21 14.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.308 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -90.09 -37.22 14.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 1.7 p90 -81.91 39.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.408 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -93.83 41.28 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.093 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 86.3 m -144.96 124.92 13.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 64.9 p -160.18 142.41 13.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 174.42 125.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -173.89 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.3 t -159.55 154.02 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 40.4 m -153.29 160.55 42.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.507 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -171.03 151.34 3.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -119.95 152.75 36.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.88 155.03 26.17 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.7 p -105.17 129.11 53.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.842 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -132.62 100.62 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.49 -128.81 5.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -121.31 -70.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.907 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 t -175.31 137.21 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 83.0 mtt-85 -48.9 -42.8 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.507 ' CD2' ' HD3' ' A' ' 98' ' ' PRO . 14.1 m-85 -120.25 83.75 33.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.634 0.73 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.12 22.8 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.236 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.81 18.85 56.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 63.4 t -143.56 111.13 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -114.99 110.15 19.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.9 mt -98.69 147.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -131.07 122.74 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 mt -93.14 133.18 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 20' ' ' GLU . 1.8 t -72.79 169.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 5.6 mt-10 -104.57 -71.41 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.641 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.75 3.2 2.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.473 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . 6.9 mmp_? -116.83 -31.45 5.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 97.3 mmm -88.32 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.29 169.13 11.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.457 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -73.36 -43.6 60.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.88 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.0 t -95.95 -49.24 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' NH2' HG12 ' A' ' 86' ' ' ILE . 18.1 tpt180 -47.27 -36.29 8.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -72.77 -60.57 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.21 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 3.1 t80 -38.87 -43.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.65 -48.99 17.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.499 HG23 HG11 ' A' ' 42' ' ' VAL . 87.3 m -39.48 -61.39 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.27 -41.43 99.5 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 HD13 ' A' ' 93' ' ' LEU . 15.0 tp -55.26 -61.05 2.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -43.33 -68.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.078 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 35' ' ' ALA . 49.8 mtt180 -37.85 -48.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t -60.32 -37.9 82.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 35' ' ' ALA . 68.1 mmtt -71.22 -41.41 70.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.59 28.19 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.554 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 49.9 m-85 -113.98 124.42 52.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.9 ttt-85 -69.01 117.7 10.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 32' ' ' THR . 61.9 t -96.89 129.66 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -93.96 142.54 27.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -82.83 -43.18 16.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.9 158.81 34.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.4 p -65.23 117.02 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -143.0 160.88 39.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.9 m -39.32 -44.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' THR . 16.6 mt-10 -41.22 -46.26 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -36.3 114.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 49' ' ' GLU . 29.8 p -121.48 -20.17 6.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -149.13 116.68 6.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.534 HG23 ' HB2' ' A' ' 81' ' ' PRO . 97.0 t -97.16 141.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG11 HD22 ' A' ' 89' ' ' LEU . 58.0 t -115.7 128.45 72.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 30.5 mtt -131.71 143.02 49.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -108.13 137.34 46.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 47.38 51.8 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 85.9 m -120.58 145.35 47.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 t -83.26 152.01 25.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -52.64 -41.27 63.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -76.42 -27.44 56.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.38 -50.51 71.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.698 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -48.14 -55.06 11.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 67' ' ' GLN . 98.4 t -45.88 -56.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.2 t -45.71 -43.0 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.818 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.534 ' O ' ' CE3' ' A' ' 66' ' ' TRP . 19.4 t90 -76.88 -20.63 56.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.721 ' HB2' HD11 ' A' ' 83' ' ' LEU . 44.6 tt0 -78.84 -32.02 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.17 -40.37 81.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 4.4 mmp_? -50.6 -36.36 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' ALA . 4.3 mmm180 -60.1 -70.75 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.3 mmt -44.26 -24.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -73.05 -44.05 61.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.87 15.51 21.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -102.59 154.16 37.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.537 0.684 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 155.68 65.36 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.328 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.721 2.28 . . . . 0.0 112.295 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.9 -32.62 3.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 3.3 t -53.79 137.9 37.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 110.898 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 m -88.44 131.35 42.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.676 0.75 . . . . 0.0 111.1 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 148.04 63.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.534 ' HB2' HG23 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.72 157.57 60.01 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.03 113.13 21.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 67' ' ' GLN . 62.9 mt -71.76 97.51 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.98 170.37 7.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.443 ' HB2' HD21 ' A' ' 107' ' ' LEU . 14.1 t70 -105.71 158.56 16.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.41 HG12 ' NH2' ' A' ' 27' ' ' ARG . 7.9 tp -44.11 -35.37 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.0 t -47.69 -39.18 16.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -66.25 -51.88 53.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' HG ' HD11 ' A' ' 93' ' ' LEU . 19.2 tp -54.68 -62.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.3 p -39.58 -47.67 1.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -63.64 -45.47 90.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.6 m -59.71 -50.79 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.699 HD13 HD23 ' A' ' 34' ' ' LEU . 14.3 mt -57.7 -48.33 79.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.75 -22.51 70.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.481 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.3 -16.13 22.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.78 -16.26 12.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.65 151.97 76.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.507 ' HD3' ' CD2' ' A' ' 11' ' ' PHE . 53.9 Cg_endo -69.73 108.66 2.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.4 m -72.87 151.39 90.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 122.11 8.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.314 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.7 t -40.58 147.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -120.12 169.5 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.3 t -68.35 -11.81 60.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -100.67 -25.1 14.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -69.72 -47.61 62.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 14.8 mtp-105 -47.61 146.94 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 85' ' ' ASP . 23.1 mt -121.93 85.42 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.532 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 22.2 tt0 -132.86 164.65 26.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.577 HG22 ' H ' ' A' ' 110' ' ' ALA . 5.3 p -133.62 168.71 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.577 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.06 127.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.88 61.88 6.03 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.425 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 176.5 6.69 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -111.58 177.34 4.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.88 155.94 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 72.62 72.12 1.0 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.541 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 173.02 11.54 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.388 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.79 99.96 10.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.6 p -158.87 135.53 6.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -50.79 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.655 2.237 . . . . 0.0 112.361 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.99 169.23 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -115.17 175.71 5.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 27.4 ptm -119.63 141.62 31.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.458 ' HB2' ' CE1' ' A' ' 125' ' ' TYR . 54.4 Cg_endo -69.75 165.98 29.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.64 2.227 . . . . 0.0 112.369 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -80.81 -19.91 43.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 123' ' ' PRO . 1.1 p90 -94.79 47.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -131.71 115.83 16.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 28.6 p -174.01 133.77 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.7 m -151.57 176.73 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 153.58 -176.7 31.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.55 10.37 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.703 2.268 . . . . 0.0 112.309 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.9 t -126.68 -40.73 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 t 50.0 42.34 24.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -50.45 172.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 0.0 110.856 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -132.54 42.53 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.47 103.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 m -123.26 158.75 30.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -52.54 150.85 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.49 95.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -115.74 157.11 24.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 0.0 110.887 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 t -150.84 140.21 21.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -62.87 -47.54 82.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 6.2 m-85 -116.44 82.61 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.12 11.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 0.0 112.333 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.45 14.83 60.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.68 HG13 ' CE1' ' A' ' 52' ' ' HIS . 57.6 t -135.03 120.17 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.51 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -114.16 109.95 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 40' ' ' PHE . 62.8 mt -99.93 131.09 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -123.81 125.97 45.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.69 135.36 37.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.72 HG13 ' CZ2' ' A' ' 66' ' ' TRP . 2.6 t -64.42 109.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 16.9 mt-10 -39.2 -64.13 0.54 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.594 0.711 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.2 Cg_endo -69.72 -90.89 0.01 OUTLIER 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.709 2.272 . . . . 0.0 112.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' PRO . 4.1 tpm_? -35.36 148.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.6 ttp 72.58 42.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.15 140.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -84.79 -36.94 21.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -88.85 -46.99 8.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -45.76 -34.37 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -43.16 -58.31 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -42.94 -52.21 5.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -40.14 -51.24 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 32' ' ' THR . 17.7 mt -69.24 -52.08 31.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 59.0 m -36.45 -60.46 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.64 -47.5 88.7 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.558 HD23 HD13 ' A' ' 93' ' ' LEU . 12.5 tp -46.82 -59.36 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.534 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -49.04 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.051 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 35' ' ' ALA . 43.1 mtt-85 -36.62 -40.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -67.17 -43.37 82.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ALA . 62.7 mmtt -64.55 -51.2 64.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.82 34.34 0.12 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.534 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 54.7 m-85 -116.12 144.42 44.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.863 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -87.97 115.72 25.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.4 122.94 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.51 HD11 ' HB1' ' A' ' 15' ' ' ALA . 17.2 mt -82.46 149.85 27.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -83.04 -46.0 13.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.94 177.65 4.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.9 m -73.39 87.15 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.0 t -100.47 155.28 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.1 p -58.39 -17.11 17.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.612 ' O ' HG23 ' A' ' 51' ' ' THR . 18.1 mm-40 -66.61 -36.86 83.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.42 92.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' GLU . 27.5 p -89.69 -27.27 20.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.68 ' CE1' HG13 ' A' ' 14' ' ' VAL . 5.0 m80 -136.56 135.92 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -119.19 137.75 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -104.46 131.12 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.6 ' HG2' HG21 ' A' ' 19' ' ' VAL . 5.2 mtt -143.24 123.33 13.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -109.26 148.72 30.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 52.35 33.57 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.3 m -114.97 131.69 56.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 62' ' ' GLU . 50.3 m -70.39 140.63 52.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -43.17 -38.51 2.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.36 -33.0 58.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 59' ' ' SER . 12.5 mm-40 -59.96 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.863 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.586 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -60.08 -52.87 63.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.55 -26.2 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 t -84.48 -32.82 23.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.72 ' CZ2' HG13 ' A' ' 19' ' ' VAL . 27.4 t90 -75.67 -25.97 57.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.965 ' HG2' HD11 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -84.59 -23.93 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' ARG . 4.5 mt-10 -57.97 -57.06 14.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 68' ' ' GLU . 21.6 mmt85 -37.89 -37.83 0.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 14.7 mtp-105 -70.09 -64.62 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.1 mmt -47.68 -19.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.96 -40.17 47.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.3 17.8 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.49 148.15 45.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.545 0.688 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 160.87 48.09 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.82 43.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.32 -17.36 48.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 5.8 t -63.77 136.9 57.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.63 HG23 ' HD2' ' A' ' 80' ' ' PRO . 84.9 m -87.91 138.28 31.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.583 0.706 . . . . 0.0 111.125 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 79' ' ' THR . 54.0 Cg_endo -69.8 136.13 32.11 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.56 69.46 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.083 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.965 HD11 ' HG2' ' A' ' 67' ' ' GLN . 5.1 mt -71.18 127.78 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 83' ' ' LEU . 19.0 mt -138.99 172.89 12.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -108.46 159.22 16.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.436 HG13 HG23 ' A' ' 90' ' ' THR . 8.2 tp -46.04 -36.35 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 t -45.55 -38.26 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -66.19 -60.93 2.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.2 tp -47.04 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.436 HG23 HG13 ' A' ' 86' ' ' ILE . 36.2 p -46.24 -50.95 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -58.73 -33.68 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.3 m -75.95 -35.44 59.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.558 HD13 HD23 ' A' ' 34' ' ' LEU . 64.7 mt -70.09 -49.64 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -65.51 -22.41 69.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.431 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.17 -15.37 23.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.15 -17.89 8.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -125.07 152.34 70.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.412 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.75 108.13 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.1 m -71.3 152.26 94.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.4 16.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.39 134.94 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' OE1' ' CE1' ' A' ' 105' ' ' HIS . 4.3 pt-20 -116.33 179.02 4.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.63 -52.63 64.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -56.8 -26.74 58.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.423 ' CE1' ' OE1' ' A' ' 102' ' ' GLU . 39.2 m170 -74.82 -41.22 60.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -58.3 126.9 29.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.618 HD11 ' O ' ' A' ' 84' ' ' LEU . 11.3 mt -107.49 90.54 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.434 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 13.9 tt0 -141.57 157.53 45.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.587 HG22 ' H ' ' A' ' 110' ' ' ALA . 9.2 p -121.15 169.36 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.587 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.12 120.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 62.52 67.22 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.74 5.29 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.711 2.274 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 3.8 mmm180 -99.77 142.51 31.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -135.35 140.15 44.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 74.61 74.46 0.86 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -175.01 1.0 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.357 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 117' ' ' LEU . 4.0 pp -122.09 154.96 36.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.9 m -87.72 141.41 31.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 90.52 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -129.14 84.88 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -111.29 174.58 5.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 88.2 mtp -117.57 140.31 27.33 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.588 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.7 Cg_endo -69.74 -172.31 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -103.93 -35.39 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 125' ' ' TYR . 0.4 OUTLIER -85.97 33.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.588 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -86.4 41.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.7 t -136.77 147.73 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.7 t -99.83 137.94 37.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 148.27 65.59 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 145.61 57.71 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 27.5 m -103.98 166.49 10.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.1 t -104.59 123.58 47.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -171.42 143.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.875 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 m -79.29 -60.34 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.74 136.36 3.36 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -152.11 152.23 32.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.378 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -160.48 175.53 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.19 -112.86 3.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 9' ' ' THR . 3.2 m -39.62 159.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 8' ' ' SER . 8.4 t -34.56 151.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -47.92 -40.17 21.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 20.8 m-85 -132.14 87.09 44.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.651 0.739 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -11.26 30.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.48 32.91 6.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.3 t -153.41 122.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 49' ' ' GLU . . . -127.08 126.48 43.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.1 mt -113.04 140.96 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -117.95 125.53 50.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.0 mt -88.93 124.28 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.403 ' CG1' ' HG2' ' A' ' 21' ' ' PRO . 95.2 t -76.14 105.66 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 5.9 mp0 -38.09 -60.07 1.07 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.9 Cg_endo -69.72 168.58 21.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 41.84 40.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 61.7 tpp -130.98 -66.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.5 153.52 5.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -75.74 -39.7 56.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -94.53 -37.29 11.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 28' ' ' ARG . 3.0 tpm_? -52.16 -54.09 34.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 27' ' ' ARG . 55.1 mtm180 -36.21 -67.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -56.57 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -38.79 -50.25 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.5 mt -70.34 -51.32 30.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.1 m -39.5 -48.45 2.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.23 -41.87 12.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.783 HD23 HD13 ' A' ' 93' ' ' LEU . 15.8 tp -50.79 -52.41 41.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.85 0.357 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -57.95 -57.05 14.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -44.34 -44.23 8.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 t -63.64 -40.45 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' HG3' HD23 ' A' ' 93' ' ' LEU . 73.9 mmtt -68.43 -57.22 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.51 35.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.52 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 21.4 m-85 -123.49 122.9 39.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.879 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.34 136.03 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.87 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.22 123.79 67.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 24.1 mt -86.79 138.12 31.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.33 -43.86 84.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.85 173.42 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 25.5 p -67.71 117.16 9.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -144.71 166.29 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.8 t -46.39 -45.49 17.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 1.6 mp0 -44.58 -35.48 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.08 113.4 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.7 p -109.68 -38.02 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -125.68 113.79 17.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.5 t -95.89 128.24 47.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 HD22 ' A' ' 89' ' ' LEU . 58.7 t -93.65 129.24 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 53.8 mtt -128.53 111.14 12.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -89.74 130.71 35.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 60.65 47.01 8.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 90.5 m -124.94 139.94 53.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -70.79 174.69 5.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.65 53.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -77.72 -37.0 50.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -50.71 -44.03 57.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.978 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -59.41 -51.17 71.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 57.2 t -53.98 -30.48 19.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 t -82.13 -49.95 9.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -59.66 -28.26 67.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 68' ' ' GLU . 3.6 pt20 -78.44 -34.48 47.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 4.4 mm-40 -64.19 -42.15 96.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -48.72 -44.06 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' ALA . 14.0 mtp-105 -64.42 -58.23 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -40.89 -33.39 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.33 14.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.41 22.76 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -97.68 154.23 37.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.02 47.56 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 131.64 21.61 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.75 -30.94 9.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 39.6 t -60.86 123.75 18.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.83 153.86 39.94 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.574 0.702 . . . . 0.0 111.147 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 124.18 10.83 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 151.8 69.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.7 2.266 . . . . 0.0 112.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.0 108.0 5.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.978 HD13 ' HB1' ' A' ' 63' ' ' ALA . 25.7 mt -67.22 116.49 8.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' HD11 ' A' ' 107' ' ' LEU . 81.4 mt -120.39 170.33 9.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -105.67 151.25 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.653 HD13 HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -48.72 -40.83 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.435 ' N ' HG23 ' A' ' 86' ' ' ILE . 11.8 t -45.04 -40.18 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -62.98 -45.72 91.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.559 ' HG ' HD11 ' A' ' 93' ' ' LEU . 13.4 tp -54.72 -55.99 23.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.653 HG23 HD13 ' A' ' 86' ' ' ILE . 34.9 p -56.33 -33.27 65.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -70.36 -41.56 72.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.3 m -68.88 -43.32 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.783 HD13 HD23 ' A' ' 34' ' ' LEU . 6.1 mt -62.88 -51.08 68.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.71 -15.29 47.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -102.88 -14.55 16.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 111.096 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.31 -13.47 33.34 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.536 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -133.67 151.59 77.39 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.586 0.708 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.589 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 53.7 Cg_endo -69.78 109.33 2.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.636 2.224 . . . . 0.0 112.364 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.5 m -72.37 152.53 92.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.35 15.94 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.8 t -51.01 132.42 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -114.15 164.98 13.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 25.7 p -51.85 -37.28 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -69.38 -39.83 77.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -64.47 -49.62 70.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -45.92 138.14 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.429 HD11 ' O ' ' A' ' 84' ' ' LEU . 55.2 mt -113.57 93.51 4.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -149.99 151.94 34.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.633 HG22 ' H ' ' A' ' 110' ' ' ALA . 5.9 p -113.26 171.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.633 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.1 128.35 0.28 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.072 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 48.25 67.63 1.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 122.21 8.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.368 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -63.16 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -145.97 144.45 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 114' ' ' LYS . . . 36.8 72.79 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.461 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 174.1 10.01 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.476 HD12 ' C ' ' A' ' 117' ' ' LEU . 2.1 pp -122.68 151.97 40.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.0 m -156.79 138.34 9.81 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.719 0.771 . . . . 0.0 110.821 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -49.08 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.73 2.287 . . . . 0.0 112.344 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.06 -179.61 2.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -105.15 137.5 42.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 28.7 mtp -139.76 137.03 17.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.537 0.685 . . . . 0.0 110.946 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 172.31 12.84 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.379 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -100.01 -49.78 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.07 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.474 ' CG ' ' N ' ' A' ' 126' ' ' ALA . 8.3 p90 -44.01 -44.3 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 125' ' ' TYR . . . -42.12 106.03 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.9 t -154.59 126.16 7.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.5 m -106.09 163.91 12.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 163.92 83.45 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 142.54 48.3 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.401 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.0 p -121.11 127.28 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.2 p -141.91 171.36 14.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -45.21 138.59 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.89 0.376 . . . . 0.0 110.811 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 t -93.62 147.31 23.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.24 105.97 1.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -124.98 141.63 52.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -63.39 -56.61 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.03 137.42 7.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -109.02 -65.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.966 0.412 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.3 t -174.99 142.27 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' HB2' ' CA ' ' A' ' 39' ' ' GLY . 13.5 mmt180 -40.88 -49.94 3.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.595 ' CE2' ' HD3' ' A' ' 98' ' ' PRO . 12.4 m-85 -125.96 90.62 49.92 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.638 0.732 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -28.13 25.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.68 2.254 . . . . 0.0 112.326 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.29 26.73 5.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -148.54 113.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.35 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.577 ' HB1' HD11 ' A' ' 43' ' ' LEU . . . -119.34 120.52 37.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -109.16 128.77 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -108.63 122.59 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.85 124.92 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.558 HG12 ' HG2' ' A' ' 21' ' ' PRO . 16.9 t -77.22 97.96 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.13 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' N ' ' HD2' ' A' ' 21' ' ' PRO . 0.4 OUTLIER -41.81 -54.1 7.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.902 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 20' ' ' GLU . 53.5 Cg_endo -69.79 132.32 23.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 mtt85 63.13 52.61 2.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 18.6 tpp -133.58 -46.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.38 138.68 5.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -62.22 -26.88 68.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 56.2 m -96.82 -57.31 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -37.78 -61.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.5 tmm_? -35.5 -64.64 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.0 -55.95 26.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -39.6 -43.52 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.7 mt -78.84 -49.86 12.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.6 m -39.17 -55.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.25 -42.72 82.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.488 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.907 HD23 HD13 ' A' ' 93' ' ' LEU . 11.3 tp -54.5 -58.8 6.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.487 ' HB1' ' HB2' ' A' ' 40' ' ' PHE . . . -46.95 -60.99 2.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.116 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -44.31 -44.48 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -65.55 -39.09 91.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.1 mmtt -67.91 -56.68 8.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 10' ' ' ARG . . . 146.55 33.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.487 ' HB2' ' HB1' ' A' ' 35' ' ' ALA . 16.3 m-85 -122.16 134.46 54.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 0.0 110.935 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.3 ttt85 -82.1 119.54 24.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.7 t -89.08 123.7 41.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.577 HD11 ' HB1' ' A' ' 15' ' ' ALA . 40.9 mt -88.54 138.14 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -79.97 -63.76 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.53 -75.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 48.7 t -174.63 110.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.0 m -110.47 24.78 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 m 60.27 27.2 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.49 ' O ' HG23 ' A' ' 51' ' ' THR . 7.5 mt-10 -115.18 -26.06 7.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.53 120.98 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 49' ' ' GLU . 10.3 p -123.57 -26.58 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -139.64 112.64 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 81' ' ' PRO . 98.6 t -93.37 138.71 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.594 HG13 ' HA ' ' A' ' 86' ' ' ILE . 50.4 t -105.75 120.1 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.473 ' HG2' HG21 ' A' ' 19' ' ' VAL . 19.8 mtt -119.69 155.79 31.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -131.6 134.4 45.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 47.28 53.05 11.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 27.8 m -133.84 135.22 43.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.3 m -68.43 169.12 11.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.98 -42.62 76.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -69.15 -48.21 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -48.91 -35.84 15.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 83' ' ' LEU . . . -62.71 -53.72 50.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.9 t -46.06 -52.65 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -50.41 -57.21 8.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -54.17 -37.65 64.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.587 ' HB2' HD11 ' A' ' 83' ' ' LEU . 37.8 tp60 -63.49 -50.06 71.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -41.35 -46.09 3.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.702 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 3.4 mmp_? -38.43 -60.86 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -47.2 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.0 mmt -43.16 -25.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 69' ' ' ARG . . . -70.01 -47.13 63.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -111.91 24.16 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 75' ' ' PRO . . . -101.71 159.85 28.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 74' ' ' ALA . 53.1 Cg_endo -69.78 150.44 68.07 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 135.65 30.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.348 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.43 -43.83 2.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.0 m -54.18 117.88 3.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.371 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.423 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 12.4 m -76.14 135.6 69.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.615 0.721 . . . . 0.0 111.132 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' A' ' 79' ' ' THR . 54.4 Cg_endo -69.74 153.76 68.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HB2' HG23 ' A' ' 53' ' ' VAL . 53.8 Cg_endo -69.8 172.62 12.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.703 2.268 . . . . 0.0 112.347 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.27 118.82 33.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 63' ' ' ALA . 51.5 mt -72.52 100.49 2.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.552 ' O ' HD11 ' A' ' 107' ' ' LEU . 20.9 mt -111.35 175.64 5.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -105.62 153.46 21.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.594 ' HA ' HG13 ' A' ' 54' ' ' VAL . 6.8 tp -45.31 -26.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -53.06 -42.23 65.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 87.7 t90 -61.52 -53.48 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 54' ' ' VAL . 30.7 tp -53.02 -65.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' LEU . 77.2 p -34.13 -51.38 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -58.07 -47.38 83.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 89' ' ' LEU . 53.9 m -57.67 -52.53 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.907 HD13 HD23 ' A' ' 34' ' ' LEU . 43.9 mt -57.22 -51.17 70.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.78 -15.41 48.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.491 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.69 -13.8 15.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.1 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.29 -12.27 26.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -132.67 152.4 79.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.595 ' HD3' ' CE2' ' A' ' 11' ' ' PHE . 54.0 Cg_endo -69.74 108.97 2.19 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.2 m -71.81 152.92 93.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' VAL . 53.5 Cg_endo -69.76 92.87 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.456 HG21 ' CD2' ' A' ' 84' ' ' LEU . 3.1 p -35.02 146.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -113.69 -176.59 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 12.9 t -67.27 -46.6 73.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -54.71 -43.26 72.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -54.23 -48.39 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -49.77 142.43 8.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.552 HD11 ' O ' ' A' ' 84' ' ' LEU . 5.7 mt -119.2 91.07 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 109' ' ' VAL . 3.2 tm-20 -138.69 153.93 48.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.631 HG22 ' H ' ' A' ' 110' ' ' ALA . 7.5 p -120.74 170.96 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.631 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.11 130.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 54.01 66.31 2.86 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 122.6 9.26 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.323 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.9 mtp85 -147.33 168.57 21.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.56 145.92 50.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.62 171.25 44.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -177.33 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.729 2.286 . . . . 0.0 112.355 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.3 mt -115.89 156.19 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.6 m -38.71 144.46 0.4 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -46.73 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -170.99 171.6 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . 0.521 ' CG ' ' N ' ' A' ' 122' ' ' MET . 1.2 t-105 -116.68 161.34 19.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.521 ' N ' ' CG ' ' A' ' 121' ' ' TRP . 4.4 ptp -174.18 143.4 0.9 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.561 0.696 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.432 ' HG2' ' CA ' ' A' ' 126' ' ' ALA . 53.9 Cg_endo -69.71 156.8 62.54 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -53.54 -38.93 64.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 126' ' ' ALA . 20.7 p90 -82.09 -52.49 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 125' ' ' TYR . . . 34.71 44.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 47.3 t -118.17 91.41 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.1 m -89.71 164.27 14.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . 105.66 69.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.18 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.653 2.236 . . . . 0.0 112.364 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.8 t -174.31 142.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.796 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.7 t -89.05 160.13 17.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.53 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -54.66 93.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -39.3 155.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.58 67.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -108.11 102.32 11.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -54.88 97.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.43 78.92 0.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.3 m -147.02 147.79 31.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.431 HG21 ' HA ' ' A' ' 12' ' ' PRO . 13.9 t -171.23 141.4 1.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -51.44 -49.68 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.63 84.57 53.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HA ' HG21 ' A' ' 9' ' ' THR . 53.8 Cg_endo -69.75 -40.92 4.76 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.5 -30.25 19.14 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.845 HG23 ' CE1' ' A' ' 52' ' ' HIS . 2.1 p -105.54 114.83 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.123 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -117.39 116.65 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 40' ' ' PHE . 38.0 mt -97.72 137.02 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -119.73 129.17 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -104.79 131.98 51.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.826 HG11 ' CB ' ' A' ' 22' ' ' ARG . 2.0 t -68.72 142.18 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.597 ' CB ' ' CD ' ' A' ' 21' ' ' PRO . 6.5 mt-10 -84.77 -68.48 0.16 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.597 ' CD ' ' CB ' ' A' ' 20' ' ' GLU . 53.7 Cg_endo -69.78 -51.93 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.737 2.291 . . . . 0.0 112.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.826 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -50.8 -57.77 7.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.2 ttm -76.59 -54.25 6.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.9 153.42 6.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -69.97 -51.87 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -79.5 -58.87 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -39.63 -53.04 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 28' ' ' ARG . 3.1 tmt_? -52.32 -43.75 64.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.04 -50.73 66.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 30' ' ' PHE . 9.7 t80 -43.12 -53.13 5.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.5 mt -69.94 -45.44 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.849 HG23 HG11 ' A' ' 42' ' ' VAL . 93.5 m -38.35 -61.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.03 -32.66 81.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 93' ' ' LEU . 11.1 tp -67.26 -65.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -36.05 -70.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -50.24 -46.34 54.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.9 t -58.63 -28.65 65.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.3 mmtt -84.73 -34.12 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.97 31.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.533 ' HB3' HD12 ' A' ' 16' ' ' ILE . 26.9 m-85 -125.35 117.47 23.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -55.53 117.62 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.849 HG11 HG23 ' A' ' 32' ' ' THR . 61.8 t -95.14 124.03 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -96.13 132.36 41.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -76.78 -46.61 24.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.65 172.35 7.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 8.2 m -79.53 116.74 19.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -139.1 157.97 45.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 98.1 p -43.67 -45.68 7.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 51' ' ' THR . 6.6 mp0 -42.63 -40.92 2.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.62 109.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 49' ' ' GLU . 70.9 p -103.2 -37.67 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.845 ' CE1' HG23 ' A' ' 14' ' ' VAL . 12.0 m80 -136.35 133.82 37.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.78 119.98 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' ' 86' ' ' ILE . 62.1 t -93.62 121.32 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.1 mtt -124.32 135.44 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLU . 53.5 mt-10 -106.53 156.43 18.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . 13.8 pt-20 37.11 40.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' ' 62' ' ' GLU . 97.7 m -111.22 128.19 55.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.6 t -68.52 151.03 47.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 108' ' ' GLU . . . -45.99 -36.51 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -84.77 -41.83 15.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' CG ' HG23 ' A' ' 58' ' ' THR . 4.0 tp10 -51.89 -37.21 51.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.16 -70.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -47.88 -34.35 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.5 t -66.09 -60.31 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.524 ' C ' ' CE3' ' A' ' 66' ' ' TRP . 2.1 t90 -46.68 -22.26 0.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.523 ' CB ' HD11 ' A' ' 83' ' ' LEU . 17.9 tp60 -79.16 -48.23 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -47.81 -38.61 16.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -56.63 -36.57 69.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -67.18 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.418 ' SD ' ' NE2' ' A' ' 67' ' ' GLN . 41.3 mmm -39.94 -27.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -71.2 -52.22 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.84 17.96 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -77.68 147.63 75.01 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 111.061 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 164.65 33.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.259 . . . . 0.0 112.319 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 131.85 22.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.74 2.293 . . . . 0.0 112.287 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.71 10.85 72.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 29.2 p -71.16 159.44 34.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.89 0.376 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.531 HG23 ' HD2' ' A' ' 80' ' ' PRO . 97.9 m -120.41 135.33 24.46 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.57 0.7 . . . . 0.0 111.202 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.531 ' HD2' HG23 ' A' ' 79' ' ' THR . 53.7 Cg_endo -69.77 113.44 3.38 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.349 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 80' ' ' PRO . 53.8 Cg_endo -69.71 169.22 19.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.33 99.94 10.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.523 HD11 ' CB ' ' A' ' 67' ' ' GLN . 8.1 mt -69.4 111.7 5.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 mt -120.08 175.94 5.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.589 ' HB2' HD21 ' A' ' 107' ' ' LEU . 10.7 t70 -107.07 152.79 23.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.471 ' HA ' HG13 ' A' ' 54' ' ' VAL . 7.5 tp -43.49 -29.38 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.4 t -52.59 -42.05 64.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.463 ' HB2' ' CG ' ' A' ' 105' ' ' HIS . 73.0 t90 -66.24 -30.69 71.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.463 HD22 HG11 ' A' ' 54' ' ' VAL . 13.8 tp -75.75 -61.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.406 ' HA ' HD12 ' A' ' 93' ' ' LEU . 11.6 p -39.35 -34.95 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.31 -43.4 56.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 89' ' ' LEU . 15.4 m -65.62 -46.0 80.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.514 HD13 HD23 ' A' ' 34' ' ' LEU . 10.3 mt -57.97 -51.95 67.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.38 -11.01 61.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.449 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.67 -15.05 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.841 0.353 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.0 -9.6 24.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -134.54 152.37 77.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.948 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG22 ' OG ' ' A' ' 92' ' ' SER . 13.9 m -71.23 153.44 94.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.65 1.19 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.258 . . . . 0.0 112.361 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 102' ' ' GLU . 1.0 OUTLIER -41.3 151.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 101' ' ' VAL . 13.0 pt-20 -130.83 165.95 21.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 93.3 m -56.26 -33.2 65.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -69.91 -26.58 64.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.463 ' CG ' ' HB2' ' A' ' 88' ' ' TRP . 21.8 m170 -76.94 -46.28 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -45.31 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.589 HD21 ' HB2' ' A' ' 85' ' ' ASP . 18.8 mt -126.41 118.39 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.805 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 13.3 tt0 -166.5 161.26 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.634 HG22 ' H ' ' A' ' 110' ' ' ALA . 8.9 p -123.26 170.5 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.634 ' H ' HG22 ' A' ' 109' ' ' VAL . . . -175.08 114.39 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 66.66 64.75 3.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 157.06 61.73 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.692 2.261 . . . . 0.0 112.389 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -106.22 154.45 20.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.87 153.86 7.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 38.88 75.53 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.431 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 173.56 10.82 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.629 HD12 ' HD3' ' A' ' 119' ' ' PRO . 4.1 pp -129.93 145.91 51.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.446 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 13.5 m -112.74 101.53 53.07 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.621 0.724 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.629 ' HD3' HD12 ' A' ' 117' ' ' LEU . 54.0 Cg_endo -69.74 -44.2 2.23 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.718 2.279 . . . . 0.0 112.344 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -174.56 173.81 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -122.11 153.66 38.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 2.6 ptm -162.11 140.08 6.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.55 ' HG2' ' HB2' ' A' ' 126' ' ' ALA . 53.9 Cg_endo -69.79 165.3 31.48 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -72.2 -34.02 68.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.542 ' O ' ' CD2' ' A' ' 125' ' ' TYR . 16.1 p90 -84.53 37.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB2' ' HG2' ' A' ' 123' ' ' PRO . . . -135.82 117.8 15.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.148 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 4.4 t -156.32 165.59 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.0 p -135.84 149.34 49.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -177.64 74.33 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 155.36 65.95 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 47.6 t -105.64 -63.07 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.9 m -53.07 120.55 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.973 . . . . . . . . 0 0 . 1 stop_ save_