data_2ctr_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 2ctr _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 ' 7' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -87.22 142.16 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 55' ' ' ALA . 15.5 m-30 -45.17 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 28.5 m-85 -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -77.07 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.73 -37.87 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 95.5 mt -86.68 -35.99 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.81 32.26 9.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -114.82 152.54 46.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 163.78 37.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 38.5 mmtm -65.11 -24.07 67.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.35 18.53 20.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.73 133.04 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.0 t -73.72 148.42 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -40.42 -44.13 1.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' NH1' ' HG3' ' A' ' 23' ' ' GLN . 5.2 ptm180 -64.05 -36.23 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' SER . 49.9 mt-30 -69.09 -46.18 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.7 mt -55.83 -62.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 14.6 ptpt -56.48 -37.72 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -60.41 -51.79 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 6.2 t80 -51.7 -63.54 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' PHE . 7.8 m-70 -34.4 -63.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -46.02 -49.34 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' LYS . 60.6 mt -57.93 -63.53 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -36.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmt -67.0 -44.32 80.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.4 tttp -67.58 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -117.13 16.14 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.9 t-80 -71.08 138.75 84.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -26.8 27.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 0.8 OUTLIER -71.62 -30.88 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -102.97 -57.3 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.441 ' CG ' ' CB ' ' A' ' 45' ' ' ALA . 4.7 t-20 -58.79 129.77 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -88.64 -44.92 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -46.88 143.77 4.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.701 0.762 . . . . 0.0 110.814 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.78 24.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -36.12 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' CB ' ' CG ' ' A' ' 40' ' ' ASN . . . -44.89 -58.45 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -45.67 -47.01 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -51.35 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -48.83 -52.17 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.96 -26.5 36.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.67 -19.33 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -99.94 -31.63 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.8 mt -68.65 -45.71 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.68 -66.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -42.2 -38.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . . . -63.82 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 53.3 t80 -70.7 -54.61 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.2 mt-10 -34.69 -47.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 m -68.02 -49.36 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.3 mt -81.58 12.54 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' TYR . 17.7 p -95.15 -47.69 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.1 -175.0 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 -66.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -57.26 -44.79 84.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -54.14 -48.08 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.06 -31.95 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -64.08 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.1 -47.62 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 27.6 t80 -62.16 -8.56 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.4 -27.45 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.2 t -91.07 -22.31 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 16.0 mt -104.12 -47.63 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.24 -178.73 17.21 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 83.7 t60 -69.7 -66.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 p -67.56 -26.6 66.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 71' ' ' LEU . . . -72.0 -56.58 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 9.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -106.76 160.28 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.365 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ASP . 14.3 m-30 -56.69 -59.71 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -39.06 -28.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -85.53 -48.43 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.81 -41.05 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.8 mt -82.22 -44.35 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.66 37.3 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.49 151.79 73.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 165.77 29.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -66.28 -29.78 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.5 p -93.88 9.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' O ' ' NH2' ' A' ' 65' ' ' ARG . . . -51.27 136.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -90.84 160.84 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.18 -55.47 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 23' ' ' GLN . 10.3 ptm180 -52.04 -39.75 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.441 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.0 mm100 -67.67 -49.44 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.69 -40.48 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -64.5 -53.35 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -59.35 -45.51 91.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.85 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.676 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -66.62 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -38.77 -63.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -48.06 -48.47 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' LYS . 35.5 mt -56.66 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -37.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.9 mmt -65.71 -49.08 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.6 tmtm? -63.92 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 80.7 m-85 -110.08 16.07 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 14.2 t-80 -65.75 135.09 95.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -14.49 36.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.307 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.07 -47.62 8.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -80.86 -43.05 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.419 ' CG ' ' HB3' ' A' ' 45' ' ' ALA . 5.9 t-20 -74.58 118.33 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -94.07 43.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -132.44 152.38 79.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.44 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -54.27 -41.81 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.419 ' HB3' ' CG ' ' A' ' 40' ' ' ASN . . . -43.51 -53.52 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.16 -46.26 34.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -53.36 49.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 4.3 mmmm -42.83 -55.11 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.52 -38.97 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -55.19 -23.13 20.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.75 -26.85 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' CD2' ' A' ' 35' ' ' TYR . 5.6 mt -71.4 -43.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.95 -64.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -44.38 -36.96 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.93 -39.11 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.676 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 31.2 t80 -76.75 -50.02 14.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -39.64 -46.41 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.495 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 8.8 m -69.8 -45.94 66.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.2 mt -85.51 13.46 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.555 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 29.1 t -97.91 -46.3 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -83.46 -174.98 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.71 -65.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.89 -46.79 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -50.57 -47.2 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 21.0 ttt180 -72.4 -37.98 68.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -59.76 -42.56 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -72.66 -35.79 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -66.73 -24.37 66.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -94.86 -43.71 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.3 t -68.77 -27.88 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.0 mt -101.33 -51.13 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.28 -136.29 10.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 67.2 t60 -124.74 -38.41 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 t -73.68 -18.19 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.02 -67.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CZ ' HG21 ' A' ' 58' ' ' THR . 17.6 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -98.84 145.94 26.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.477 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 16.8 m-30 -47.84 -67.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CD2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m-85 -36.49 -38.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -46.13 45.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' TYR . 70.2 mt -61.76 -35.99 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.9 mt -87.73 -36.54 17.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.51 34.49 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.57 154.72 49.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.107 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.42 45.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.464 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -62.23 -22.93 66.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -109.32 18.14 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.29 130.21 41.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.1 m -78.5 147.41 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' SER . 32.1 tt0 -35.3 -50.21 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 29.6 ttp180 -54.74 -43.32 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' SER . 35.6 mt-30 -65.87 -48.02 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.6 mt -51.38 -60.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.3 pttt -62.3 -35.38 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 20.5 mmtm -60.69 -44.85 96.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.53 61.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 29.1 t80 -60.18 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -40.78 -59.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -54.55 -46.99 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' LYS . 28.5 mt -55.92 -62.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.28 -38.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mmt -67.21 -40.21 86.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' LEU . 23.2 ttmt -68.79 -30.81 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 92.3 m-85 -113.91 20.11 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 10.9 t-80 -68.61 136.62 90.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -80.64 -46.9 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -78.99 -47.24 16.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.47 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 10.2 t-20 -69.19 -40.13 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm 50.46 49.25 21.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -135.79 151.79 74.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -44.99 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 -37.55 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -57.99 -48.35 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -47.5 -46.3 27.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.08 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -48.68 -52.89 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.83 -35.35 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -57.76 -23.07 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.26 -23.2 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.5 mt -74.89 -48.62 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -59.79 -66.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.42 -41.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.63 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.499 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 81.8 t80 -64.64 -53.98 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' TYR . 79.9 mm-40 -37.97 -44.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.42 HG23 ' CE2' ' A' ' 76' ' ' PHE . 57.4 m -72.65 -41.54 65.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD21 ' CE2' ' A' ' 68' ' ' TYR . 77.7 mt -82.92 0.2 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' TYR . 52.4 p -89.81 -48.88 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.17 157.92 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.18 -70.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.13 -49.1 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -51.84 -54.01 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -71.8 -38.04 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -77.48 -42.18 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.503 ' CE2' HD21 ' A' ' 59' ' ' LEU . 41.6 t80 -59.81 -25.86 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.39 -47.53 7.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 t -67.78 -24.95 65.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.9 mt -106.54 -49.53 3.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -140.97 15.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.404 ' NE2' ' O ' ' A' ' 7' ' ' GLY . 84.0 t60 -114.53 -52.72 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -62.37 -36.7 83.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.05 -63.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CE2' HG23 ' A' ' 58' ' ' THR . 69.4 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -97.95 155.14 17.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.468 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 16.0 m-30 -50.55 -52.7 36.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -41.16 -30.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.0 -48.17 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.39 -46.19 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.1 mt -76.98 -40.33 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.27 35.92 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.84 152.41 62.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HG2' ' CA ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 159.75 52.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.412 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -59.38 -30.23 68.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -105.72 22.36 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.408 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . -56.24 141.32 41.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLN . 73.0 m -80.87 148.1 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -39.76 -48.33 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.15 -38.93 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.7 mt-30 -64.55 -42.24 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mt -63.13 -60.17 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -40.06 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -67.3 -48.9 66.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.424 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -60.38 -38.88 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.1 t80 -71.84 -58.82 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -44.38 -62.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 10.8 ptmt -48.75 -49.65 37.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' LYS . 26.5 mt -56.21 -65.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -33.91 -37.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.1 mmt -66.06 -48.28 71.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -63.79 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -111.11 19.12 18.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' ALA . 15.1 t-80 -68.02 134.57 91.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 -29.29 24.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -76.69 -51.7 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -74.59 -45.25 46.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 11.9 t-20 -83.1 139.28 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -117.53 73.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -150.34 149.85 27.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.702 0.763 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -27.22 27.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -32.83 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.467 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -52.38 -52.71 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.87 -50.1 36.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.98 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.36 -56.4 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.06 -40.57 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -53.28 -22.07 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.63 -26.63 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt -75.62 -44.6 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.96 -65.54 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -43.88 -39.24 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.74 -42.09 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.695 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 25.8 t80 -70.31 -51.05 33.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 27.9 mt-10 -34.46 -49.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.4 m -66.77 -50.09 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 mt -82.7 14.94 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' TYR . 11.3 t -94.18 -53.6 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -79.26 177.5 8.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.77 -67.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -53.59 -48.87 68.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -51.42 -51.79 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 17' ' ' LYS . 2.0 tmt_? -70.78 -26.8 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -71.0 -38.29 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -77.07 -37.28 54.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -62.6 -20.41 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.66 -34.62 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -82.92 -21.28 34.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -108.78 -47.2 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.04 -141.17 16.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -123.74 -20.5 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.9 p -84.8 -25.18 28.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.14 -60.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.561 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 46.3 m -98.46 154.55 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 17.5 m-85 -43.24 -57.82 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CD2' ' CD ' ' A' ' 17' ' ' LYS . 28.0 m-85 -34.4 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.8 t70 -78.1 -50.49 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 9' ' ' TYR . 42.7 mt -57.2 -36.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -87.25 -34.03 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.18 30.24 13.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -115.24 155.32 47.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.164 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.47 27.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.618 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 29.5 mmtp -67.03 -21.87 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -109.96 17.6 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.0 132.37 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' GLN . 22.6 t -78.39 150.0 33.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.06 -44.61 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.5 tpt180 -64.2 -35.29 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.1 mt-30 -71.19 -43.81 66.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.5 mt -59.58 -63.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 15.0 ptmt -56.17 -30.77 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 13.4 mmtm -67.69 -51.54 48.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.73 87.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.67 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -64.08 -58.35 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -40.13 -62.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -50.61 -47.42 58.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' LYS . 39.6 mt -56.44 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.27 -37.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -66.35 -42.74 87.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.4 ttmm -66.34 -34.85 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -110.62 21.03 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 15.3 t-80 -66.48 139.47 96.14 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.497 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.75 -43.25 2.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.7 -54.64 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -66.79 -53.15 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.469 ' ND2' ' HB1' ' A' ' 45' ' ' ALA . 7.6 t-20 -71.77 124.03 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -97.4 38.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -125.52 152.37 71.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -46.52 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB1' ' ND2' ' A' ' 40' ' ' ASN . . . -47.45 -54.75 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -47.75 -43.94 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.77 37.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -45.93 -50.31 14.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.75 -28.49 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.36 -17.06 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -101.62 -24.51 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -76.8 -46.03 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.17 -62.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -45.9 -36.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.31 -41.92 89.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.67 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 80.9 t80 -74.49 -52.17 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 80.8 mm-40 -34.44 -39.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.536 HG22 ' CZ ' ' A' ' 76' ' ' PHE . 19.2 m -77.93 -51.83 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.18 4.88 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 97.3 p -93.86 -52.6 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.18 159.72 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.81 -71.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -49.52 -45.58 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -57.71 -56.32 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -62.8 -29.51 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -66.87 -50.63 61.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.32 -38.12 89.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 45.1 t80 -66.73 -12.6 59.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.8 -39.4 7.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -77.23 -20.19 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.78 -45.91 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.8 -141.7 15.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 58.5 t60 -115.63 -47.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -71.54 -31.87 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.05 -51.49 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.536 ' CZ ' HG22 ' A' ' 58' ' ' THR . 19.3 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.45 141.33 36.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.601 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 15.2 m-30 -41.72 -62.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 19.8 m-85 -34.5 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' TYR . 6.5 t70 -78.98 -49.52 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.6 mt -59.69 -40.05 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.72 -39.75 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.91 37.42 4.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.77 155.29 63.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.25 46.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 48.8 mmtt -61.95 -26.89 68.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -100.18 13.82 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.85 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 m -83.03 152.42 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' SER . 19.3 tt0 -37.51 -50.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 13.2 ptp180 -57.67 -41.52 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 75.3 mt-30 -63.38 -45.33 91.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.05 -45.76 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.68 -57.68 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 1.1 mptm? -56.25 -42.91 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.72 94.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 53' ' ' ALA . 50.9 t80 -71.59 -57.06 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -42.51 -66.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -46.45 -50.47 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 48.3 mt -53.45 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.09 -35.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.67 -41.49 75.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.1 ttmt -67.95 -29.12 68.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.5 m-85 -117.1 21.29 13.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ALA . 12.6 t-80 -67.02 137.09 94.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.7 -25.41 28.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -83.6 -50.21 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -70.89 -42.71 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 9.2 t-20 -83.29 134.58 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -101.59 30.19 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.86 31.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.08 15.3 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.89 -35.91 77.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -45.51 -50.93 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -48.12 -46.9 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.08 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -46.06 -56.33 5.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.52 -41.51 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 13.6 tpt85 -53.41 -25.79 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -93.37 -24.38 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 28' ' ' PHE . 5.7 mt -74.91 -44.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -62.96 -64.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -39.7 -40.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.542 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -68.19 -39.42 82.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 52.3 t80 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -37.05 -42.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -73.57 -42.91 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' TYR . 33.3 mt -90.35 13.77 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 9.8 p -95.27 -50.03 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.76 -176.54 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.64 -67.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.07 -47.05 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -52.38 -49.63 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.27 -30.53 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -68.21 -26.13 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -86.48 -50.39 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 22.0 t80 -54.89 -14.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.27 -48.66 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.453 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 1.3 t -69.47 -19.84 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 18.4 mt -113.3 -42.37 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 87.1 147.09 11.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.498 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 8.7 t60 -48.99 -34.74 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -60.01 -32.65 71.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -108.58 -61.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' ALA . 33.1 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -103.99 166.55 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -61.16 -57.66 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 17' ' ' LYS . 28.0 m-85 -40.87 -28.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.09 -46.45 10.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.1 -45.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 86.6 mt -78.72 -35.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.91 33.11 7.16 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.47 154.05 59.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 mptt -65.48 -27.16 68.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -105.24 18.23 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.59 138.78 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.2 t -83.87 148.13 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 31.2 tt0 -35.7 -50.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -55.84 -43.65 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 20' ' ' SER . 6.1 mt-30 -63.39 -46.86 84.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.53 -51.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -61.05 -46.74 89.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.39 -41.24 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.77 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.733 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -60.98 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' PHE . 5.3 m170 -36.17 -62.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -46.35 -48.31 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' LYS . 44.2 mt -59.88 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.48 -35.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.032 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.6 mmt -68.68 -43.11 76.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -65.66 -34.02 77.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' CD1' ' CB ' ' A' ' 48' ' ' LYS . 97.3 m-85 -113.7 22.86 13.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.6 t-80 -64.88 126.69 91.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.79 -1.01 7.77 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.8 -40.85 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -94.43 -36.91 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.423 ' CG ' ' HB1' ' A' ' 45' ' ' ALA . 5.3 t-20 -76.4 106.96 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -86.17 45.71 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.2 m -133.57 148.52 69.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -41.47 4.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.03 -37.03 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB1' ' CG ' ' A' ' 40' ' ' ASN . . . -54.61 -48.39 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.11 -50.56 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -60.46 -55.11 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CB ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 mmpt? -40.21 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.2 -35.89 60.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.22 -23.56 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -94.44 -29.01 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 35' ' ' TYR . 1.4 mt -76.12 -49.03 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.93 -62.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.25 -40.59 16.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.733 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 26.5 t80 -74.49 -52.82 10.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 10.0 mm-40 -34.44 -52.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' CB ' ' A' ' 68' ' ' TYR . 21.6 m -64.13 -51.29 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.537 HD23 ' CE2' ' A' ' 68' ' ' TYR . 41.6 mt -76.19 3.75 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 22.5 t -93.5 -55.9 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.72 153.53 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -70.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -49.97 -46.13 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -55.76 -57.39 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -62.46 -31.28 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -65.48 -35.85 82.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -78.71 -47.91 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CE2' HD23 ' A' ' 59' ' ' LEU . 57.8 t80 -57.99 -21.88 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.11 -39.93 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.9 t -78.74 -17.62 55.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.19 -50.48 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 124.06 -142.0 13.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 63.7 t60 -118.16 -31.25 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t -86.2 -24.61 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.78 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -96.67 153.74 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 16.2 m-30 -44.66 -64.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 17' ' ' LYS . 15.8 m-85 -35.68 -38.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -42.73 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' TYR . 54.9 mt -62.5 -46.92 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -75.5 -42.52 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 35.17 3.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 2.5 m -125.11 152.39 70.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.78 160.58 49.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 10.6 mptt -60.12 -27.79 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -104.34 20.73 17.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . . . -64.05 138.93 58.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' GLU . 31.6 t -88.29 149.28 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -33.91 -60.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -40.11 -44.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' SER . 45.0 mt-30 -68.3 -38.87 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mt -65.72 -62.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 21' ' ' GLU . 39.7 mttt -48.46 -45.51 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -67.53 -54.51 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.32 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.663 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 12.8 t80 -79.3 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -38.61 -56.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -55.79 -40.0 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' LYS . 34.6 mt -65.89 -58.45 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.45 -38.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.82 -33.94 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttpt -71.75 -35.1 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' HA ' ' ND2' ' A' ' 40' ' ' ASN . 92.3 m-85 -113.11 17.71 18.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' ALA . 8.8 t-80 -59.06 135.43 87.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -0.87 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -111.54 -20.26 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -99.87 -37.72 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.472 ' ND2' ' HA ' ' A' ' 35' ' ' TYR . 14.7 m-20 -84.12 122.32 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -90.21 35.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -130.41 153.85 81.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -53.52 -37.37 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.58 -57.58 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -46.16 -46.35 17.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.35 82.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -56.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.31 -35.69 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -53.67 -22.18 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.59 -26.06 14.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.64 -47.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -58.61 -63.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -46.79 -34.42 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 56.2 t80 -77.07 -52.74 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' TYR . 72.5 mm-40 -34.62 -44.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.7 m -74.3 -48.85 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.3 mt -80.42 10.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 85.5 p -99.29 -45.72 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.88 171.15 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.35 -69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -52.44 -42.32 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -60.87 -55.93 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -62.94 -31.08 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -64.21 -40.81 96.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -72.58 -49.9 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 54.2 t80 -56.42 -28.8 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -84.54 -43.68 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -74.34 -19.26 60.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.2 mt -109.6 -52.58 2.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.38 -148.03 17.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 81.6 t60 -102.77 -60.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -33.61 73.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.82 -51.97 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 8.7 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.495 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 66.9 m -100.36 150.1 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 m-30 -45.4 -62.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.92 -32.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -85.86 -46.03 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -55.8 -38.7 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 52' ' ' ILE . 96.2 mt -90.73 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.08 31.2 10.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.28 152.37 49.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.46 21.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -66.86 -30.9 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -100.06 15.78 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.36 123.77 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLN . 10.4 t -70.27 148.28 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' SER . 38.5 tt0 -37.12 -45.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.05 -41.49 92.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' SER . 41.5 mt-30 -63.38 -44.15 95.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mt -63.65 -54.97 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -53.7 -46.79 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 18.1 mttm -63.65 -51.06 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.732 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.1 t80 -68.61 -55.37 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -41.1 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -45.99 -51.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 34' ' ' LYS . 75.1 mt -51.82 -63.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.02 -34.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.44 -39.95 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 30.5 tttp -68.96 -31.69 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.557 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.0 m-85 -116.04 15.72 16.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -53.76 124.97 45.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 0.48 5.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.91 -40.36 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -89.25 -39.86 13.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -70.31 131.96 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 41.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -129.46 151.09 77.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.684 0.754 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.93 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.29 -54.84 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -47.29 -40.41 16.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.32 -53.27 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -46.93 -54.62 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -55.7 -32.11 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -60.67 -21.67 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.86 -27.13 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.46 HG23 ' CD2' ' A' ' 13' ' ' LEU . 5.3 mt -71.03 -42.46 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -65.59 -62.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -42.62 -44.95 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -62.22 -43.73 98.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.732 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.5 t80 -67.17 -55.14 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' TYR . 19.1 mt-10 -35.55 -46.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.7 m -68.63 -50.04 54.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 68' ' ' TYR . 46.6 mt -76.44 2.47 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.9 t -90.71 -49.93 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.1 167.32 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.01 -68.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.38 -45.14 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -57.22 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -64.45 -29.44 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -67.13 -42.72 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -69.31 -50.18 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.461 ' CD2' HD21 ' A' ' 59' ' ' LEU . 54.8 t80 -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.31 -39.44 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 t -80.36 -17.43 51.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.3 mt -111.54 -48.21 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.62 -163.37 12.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.53 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 18.3 t60 -98.3 1.75 47.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -112.45 -29.22 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.5 -48.75 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -83.35 153.85 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.639 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 18.4 m-85 -41.62 -61.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.458 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 46.5 m-85 -36.21 -34.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 5.5 t70 -79.49 -48.18 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' TYR . 52.1 mt -58.52 -41.95 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.8 mt -82.07 -34.02 29.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.17 8.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.3 154.58 52.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 162.9 40.28 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.709 2.272 . . . . 0.0 112.383 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 35.4 mmtm -63.97 -21.02 66.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -110.64 15.69 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' O ' ' NH2' ' A' ' 65' ' ' ARG . . . -53.3 125.32 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.3 m -71.85 148.91 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.9 tt0 -37.79 -48.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.07 -43.14 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 57.6 mt-30 -62.99 -48.39 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.52 -52.61 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -55.12 -47.67 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -59.71 -51.77 68.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.64 -49.38 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.587 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 16.9 t80 -62.01 -52.57 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -45.49 -68.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 1.3 ptpm? -44.9 -47.69 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LYS . 73.6 mt -56.42 -64.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.41 -35.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mtt -69.3 -44.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttmm -64.84 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.42 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 98.5 m-85 -120.39 25.64 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' ALA . 3.4 t-80 -64.07 124.1 84.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.76 1.2 4.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.44 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 2.0 m-20 -104.92 -34.75 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -71.07 131.83 44.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -104.17 42.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m -137.74 149.14 63.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.689 0.757 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -48.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -50.34 -46.55 55.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.85 -50.75 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -47.91 -40.39 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.19 63.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 35' ' ' TYR . 2.9 mmmp? -50.99 -54.99 19.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.8 -29.14 53.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -62.02 -20.8 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -98.17 -22.71 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.95 -50.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.58 -62.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -49.4 -39.82 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.517 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.64 -33.54 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 44.1 t80 -79.86 -54.08 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -40.05 -36.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 m -76.5 -41.26 47.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 mt -92.45 12.82 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 4.0 p -100.31 -38.14 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.29 -175.04 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 -66.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 0.6 OUTLIER -57.01 -43.88 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -54.75 -51.02 66.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 8.5 ttt180 -69.81 -30.98 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -65.65 -35.3 80.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -80.11 -45.49 18.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.639 ' CE1' ' CE2' ' A' ' 9' ' ' TYR . 77.3 t80 -60.92 -21.32 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.69 -46.15 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 t -65.7 -34.24 77.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.7 mt -95.02 -39.34 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 90.29 139.63 7.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -42.09 -45.77 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -51.36 -37.97 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -100.4 -65.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' ALA . 66.1 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 m -105.55 153.14 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.6 m-85 -40.59 -61.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' TYR . 25.6 m-85 -34.98 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 10.8 t0 -79.7 -52.34 8.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.11 -42.41 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 87.6 mt -81.13 -39.15 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 29.26 8.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.59 153.23 47.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.714 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 162.04 43.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -28.27 69.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -102.84 17.18 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.47 132.29 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.1 m -78.22 149.87 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.7 tt0 -35.85 -45.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -60.6 -44.12 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' SER . 39.1 mt-30 -60.74 -42.25 96.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -67.36 -50.61 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -61.92 -35.25 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.04 -49.73 22.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.15 89.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.682 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 14.3 t80 -64.03 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' PHE . 4.9 m170 -35.45 -59.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -51.95 -46.79 64.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' LYS . 55.8 mt -57.71 -57.15 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.8 -37.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.2 mmt -72.91 -36.21 67.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.5 ttpt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 98.1 m-85 -122.41 24.72 9.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.4 t-80 -61.18 125.13 83.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.73 -5.31 15.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.745 2.297 . . . . 0.0 112.338 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.7 -46.12 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -80.9 -39.56 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 13.8 t-20 -77.62 137.94 38.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -113.29 51.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -138.83 154.55 72.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.2 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.18 -42.89 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -51.09 -49.75 60.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.41 -42.05 66.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.0 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 11.6 mmtm -57.04 -59.8 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -51.65 -39.32 57.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -53.72 -22.98 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -98.62 -30.45 12.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.53 -44.18 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.08 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -43.74 -36.04 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.88 -41.85 86.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 46.5 t80 -71.8 -50.61 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' TYR . 52.7 mt-10 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.528 HG22 ' CE1' ' A' ' 76' ' ' PHE . 12.8 m -68.31 -50.16 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.02 11.93 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' TYR . 30.5 t -92.27 -51.54 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -76.66 -175.0 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.49 -65.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.29 -41.02 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.13 -54.03 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.46 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -65.19 -45.27 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.78 -45.48 64.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 38.6 t80 -61.59 -10.24 7.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.24 -37.23 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 t -80.29 -21.17 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.4 mt -104.01 -48.24 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.4 -132.02 7.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -125.32 -51.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -70.93 -12.61 61.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -68.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CE1' HG22 ' A' ' 58' ' ' THR . 7.5 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.411 ' HA ' ' ND1' ' A' ' 73' ' ' HIS . 81.9 p -73.86 140.52 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 13.9 m-85 -41.25 -60.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 30.4 m-85 -38.54 -36.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -75.66 -49.86 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.35 -41.45 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.68 -43.06 19.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.39 34.25 4.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.35 154.3 50.29 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.449 ' HG2' ' CA ' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.73 158.75 55.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 36.6 mmtm -59.78 -26.23 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -108.26 18.37 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . -53.48 137.04 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' GLN . 67.3 m -79.16 150.68 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -40.68 -35.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 12.3 ttm105 -73.4 -36.33 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.5 mt-30 -68.79 -35.74 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.9 mt -68.79 -58.18 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.63 -31.7 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 27.2 mmtt -68.55 -52.31 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.84 87.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.547 ' CD1' HG21 ' A' ' 52' ' ' ILE . 5.2 t80 -71.42 -53.38 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -40.66 -61.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 16.5 ptpt -52.67 -47.37 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' LYS . 68.7 mt -55.41 -64.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.17 -38.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.31 -49.63 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 25.0 tttm -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.513 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.1 m-85 -114.22 22.17 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.3 t-80 -67.17 124.87 90.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.2 Cg_endo -69.8 1.63 4.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 27.3 m-20 -103.44 -41.34 6.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -90.67 -35.8 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -78.9 117.78 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -90.82 49.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -136.1 142.29 39.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.08 17.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.77 -36.04 77.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.03 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.9 -36.63 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.09 -52.52 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -48.12 -52.56 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -54.09 -33.69 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.2 -22.15 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -97.28 -30.38 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.547 HG21 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -70.01 -46.84 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.32 -65.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -42.1 -43.87 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -58.47 -47.02 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 40.7 t80 -66.8 -47.29 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -39.46 -40.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.9 m -77.2 -49.45 15.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 68' ' ' TYR . 37.8 mt -74.71 -1.36 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 82.6 p -86.25 -56.1 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.97 154.17 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.14 -70.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -50.38 -47.17 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -53.51 -56.06 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -67.34 -27.09 66.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -60.44 -45.68 92.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -74.57 -44.09 52.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 84.0 t80 -60.55 -10.77 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.08 -45.02 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 t -73.59 -20.65 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -107.02 -42.01 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.3 -144.16 18.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.411 ' ND1' ' HA ' ' A' ' 8' ' ' SER . 78.6 t60 -110.19 -61.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -63.18 -29.51 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.22 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 m -99.46 163.88 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.8 m-85 -54.02 -59.23 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -42.27 -26.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.64 -40.59 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -67.33 -47.17 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 79.5 mt -74.89 -33.72 62.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.86 36.55 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.45 HG11 ' CB ' ' A' ' 27' ' ' ALA . 4.9 m -123.35 152.9 65.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 155.88 64.64 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -59.06 -22.0 60.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.65 18.69 20.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.62 137.23 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.5 t -82.15 151.37 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.5 tt0 -34.76 -52.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -55.1 -45.11 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.5 mm100 -59.31 -43.52 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.95 -54.07 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -57.4 -46.5 83.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -65.73 -44.32 86.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' HG11 ' A' ' 15' ' ' VAL . . . -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.663 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 12.7 t80 -75.7 -55.55 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -43.11 -65.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -44.84 -50.45 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 50.3 mt -55.3 -62.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.61 -34.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.3 mmt -68.62 -48.58 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.1 tttt -63.9 -32.39 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 97.8 m-85 -113.6 21.59 14.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.94 120.95 65.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.79 0.57 5.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.405 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -100.98 -33.2 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -98.99 -39.91 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -69.3 130.45 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -107.17 56.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -145.31 143.63 20.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -17.25 37.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.27 -34.72 31.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -50.04 -41.58 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.04 65.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -50.42 -56.34 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -56.61 -31.26 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -62.44 -20.31 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -98.65 -32.02 11.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mt -70.05 -47.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -66.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -43.86 -37.22 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -69.1 -43.91 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 28.1 t80 -68.44 -52.45 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' TYR . 6.3 mm-40 -35.37 -50.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -66.7 -42.76 85.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' TYR . 70.9 mt -85.82 8.98 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' CZ ' ' A' ' 56' ' ' TYR . 23.1 t -99.33 -38.8 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.88 166.52 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.35 -71.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -50.33 -47.09 56.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.03 -55.61 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.26 -29.0 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -69.29 -43.07 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -72.72 -44.93 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 42.8 t80 -60.69 -30.21 69.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -87.09 -44.24 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.431 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 3.0 t -68.6 -27.83 66.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.431 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 16.1 mt -104.07 -45.46 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 -155.23 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -92.97 -52.61 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.8 t -78.14 -40.04 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.52 92.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.494 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -104.08 155.71 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ASP . 15.1 m-30 -51.07 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' TYR . 22.0 m-85 -36.92 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -82.35 -47.19 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' TYR . 65.3 mt -59.69 -42.01 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.79 -37.56 26.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.15 32.51 7.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.425 HG12 ' CB ' ' A' ' 27' ' ' ALA . 16.1 m -122.68 152.34 61.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 171.28 14.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.39 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -29.6 66.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -93.27 5.21 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.46 131.28 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.5 m -83.23 154.39 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -38.81 -48.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.67 -38.86 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' SER . 13.3 mm100 -66.15 -47.08 75.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -62.36 -53.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -54.73 -45.63 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -65.31 -43.4 91.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.425 ' CB ' HG12 ' A' ' 15' ' ' VAL . . . -63.08 -40.92 99.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 53' ' ' ALA . 49.3 t80 -71.22 -55.17 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -45.25 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 10.0 ptpt -45.95 -48.6 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 37.2 mt -56.39 -63.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.15 -34.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -68.75 -44.63 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 26.3 tttp -65.27 -36.08 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.557 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 86.6 m-85 -110.09 17.81 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.8 t-80 -58.5 119.86 39.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.2 Cg_endo -69.72 -3.55 12.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.47 -38.42 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.68 -35.39 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -75.04 121.36 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 47.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -133.52 143.05 46.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.2 8.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.09 -40.38 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -45.58 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.35 -40.98 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.49 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.74 -53.62 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -54.57 -31.24 56.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -62.86 -21.32 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -96.03 -27.16 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -73.22 -46.8 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -56.95 -64.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.07 -38.43 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.44 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.93 -46.76 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' SER . 50.9 t80 -68.79 -54.06 18.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' TYR . 7.8 mm-40 -34.47 -44.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.6 m -72.65 -48.28 40.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD21 ' CD2' ' A' ' 68' ' ' TYR . 25.2 mt -83.09 11.78 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' TYR . 41.9 t -91.7 -53.68 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.02 -174.96 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.25 -65.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -54.23 -41.46 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -62.06 -54.87 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.99 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -65.29 -48.25 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.2 -48.5 73.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CD2' HD21 ' A' ' 59' ' ' LEU . 69.6 t80 -56.83 -13.32 2.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.62 -44.03 5.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -75.0 -15.66 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.6 mt -110.77 -42.83 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.89 -179.16 25.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.576 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 27.2 t60 -87.64 -1.8 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -104.28 -25.07 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.04 -55.94 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -99.36 158.08 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 17.5 m-85 -50.93 -60.26 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 31.7 m-85 -39.18 -33.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.13 -44.91 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.59 -42.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.32 -36.37 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.05 36.68 5.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -120.87 153.45 57.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 159.83 51.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 26.8 mmtp -60.59 -23.65 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.52 19.33 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.15 129.27 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.1 t -76.46 154.16 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 15.5 tt0 -37.25 -53.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -54.91 -42.12 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.8 mt-30 -62.97 -43.48 98.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -67.85 -44.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -66.04 -38.35 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -70.88 -48.05 55.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.98 93.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.715 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.1 t80 -71.18 -54.22 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -42.95 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -43.31 -51.12 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.476 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 49.8 mt -54.37 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.24 -34.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' LEU . 14.4 mmt -70.93 -46.69 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 29.5 tttt -63.96 -29.27 70.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' A' ' 48' ' ' LYS . 97.3 m-85 -119.81 24.45 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.7 t-80 -65.3 121.35 74.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.26 3.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.71 2.274 . . . . 0.0 112.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -109.23 -30.67 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -99.82 -38.8 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 20.9 t-20 -72.54 -37.24 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.11 42.28 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -122.6 153.67 62.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.696 0.76 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -36.25 11.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -35.98 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -58.57 -48.68 80.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.75 -46.88 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.19 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -48.33 -62.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -52.31 -36.05 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.86 -21.74 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -100.26 -30.72 11.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mt -72.65 -43.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.43 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -45.54 -37.11 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.84 -39.05 90.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.715 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 41.5 t80 -74.31 -51.07 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -37.71 -48.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.454 HG23 ' CE2' ' A' ' 76' ' ' PHE . 11.6 m -66.06 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 68' ' ' TYR . 14.3 mt -82.72 12.53 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' TYR . 13.6 t -91.64 -53.29 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.66 -175.0 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.78 -65.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -55.11 -44.02 74.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -57.78 -54.83 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.63 -29.5 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -66.18 -49.5 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 15.6 mt-10 -66.87 -36.89 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD2' HD23 ' A' ' 59' ' ' LEU . 80.0 t80 -63.0 -32.74 74.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.63 -45.76 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 67' ' ' GLU . 4.3 t -65.91 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.415 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 18.7 mt -102.54 -51.12 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.93 -138.58 11.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -113.72 -44.41 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -75.34 -40.14 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.88 -50.48 13.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 58' ' ' THR . 52.2 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -81.06 145.29 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' TYR . 14.0 m-30 -40.65 -60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' TYR . 23.0 m-85 -34.83 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.7 t70 -79.06 -47.9 15.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' TYR . 59.1 mt -57.1 -40.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 79.0 mt -83.68 -39.96 19.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.27 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.43 152.6 51.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.594 0.711 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 159.64 52.61 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -29.43 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -99.76 17.2 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.04 141.62 55.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -85.01 159.02 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -49.18 -45.55 44.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -64.65 -28.77 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -76.76 -33.62 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -71.21 -57.03 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.8 pttp -54.31 -43.0 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 15.4 mtmt -63.17 -52.49 62.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.63 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.526 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 6.1 t80 -71.26 -49.24 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 7.0 m170 -45.29 -63.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -46.99 -42.82 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' LYS . 76.7 mt -62.73 -62.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.86 -34.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.46 -41.14 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.0 tttp -68.93 -26.75 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -121.76 24.14 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -66.44 124.83 89.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.79 0.87 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -104.45 -42.55 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -89.14 -35.92 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 32.6 t-20 -79.7 110.12 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.14 43.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.1 m -131.85 144.09 51.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.3 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -46.71 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -43.89 -48.08 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.19 -45.25 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.51 78.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -54.59 -57.6 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.9 -39.53 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -52.53 -23.87 7.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -96.93 -29.21 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mt -71.31 -47.46 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.21 -66.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -40.92 -42.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -58.1 -46.18 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 73.6 t80 -71.63 -52.96 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.8 mm-40 -34.45 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 m -74.66 -48.01 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' TYR . 11.6 mt -84.2 11.32 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 56' ' ' TYR . 5.1 p -90.79 -60.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' OG ' ' A' ' 60' ' ' SER . 1.6 t70 -69.56 -177.57 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.16 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.14 -42.74 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -58.37 -56.25 24.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -63.15 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -39.09 87.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -72.63 -50.28 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 73' ' ' HIS . 48.5 t80 -59.23 -20.1 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.89 -40.17 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 t -75.92 -21.0 57.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.23 -42.05 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' HIS . . . 98.58 136.12 9.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 68' ' ' TYR . 14.5 t60 -36.8 -47.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -54.9 -58.36 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -72.95 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 49.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 t -122.54 162.63 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 18.6 m-85 -61.86 -53.06 60.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -44.75 -24.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -47.75 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -57.75 -38.94 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' A' ' 52' ' ' ILE . 95.5 mt -86.22 -42.75 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.78 35.23 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.67 155.15 50.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 160.15 50.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.56 -25.93 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -108.01 20.64 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.42 152.38 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.2 t -103.43 156.35 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -41.2 -43.42 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -60.42 -37.5 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 43.6 mt-30 -76.17 -44.17 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mt -63.41 -38.3 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.36 -30.26 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -77.08 -51.07 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -59.17 -36.87 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.0 t80 -75.1 -58.32 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -42.46 -60.52 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 9.4 ptmt -50.03 -49.85 49.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 34' ' ' LYS . 32.1 mt -56.5 -63.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.09 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.0 mmt -68.75 -48.37 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.1 ttmt -62.11 -34.09 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 98.4 m-85 -115.32 24.98 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.0 t-80 -63.89 120.76 66.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.81 -2.77 10.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -103.21 -35.37 8.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -91.97 -37.98 12.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 18.4 t-20 -74.97 129.01 36.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -97.89 40.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.3 145.55 55.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.68 0.752 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.45 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -42.49 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -52.13 -47.75 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.21 -44.25 10.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.42 83.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.34 -57.5 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.71 -31.43 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -59.16 -22.06 60.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.08 -30.94 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.429 HG23 ' CD2' ' A' ' 13' ' ' LEU . 2.1 mt -71.48 -46.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.4 -60.5 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -49.05 -33.4 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -68.41 -37.64 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.63 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.7 t80 -76.46 -47.27 23.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -38.9 -50.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.2 m -66.85 -49.54 65.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.7 mt -77.36 6.15 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 21.9 t -94.28 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.46 161.27 28.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -71.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -49.33 -45.6 45.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -58.02 -56.42 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -61.43 -29.97 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -69.39 -48.49 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.06 -49.68 64.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 39.2 t80 -55.57 -16.36 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -98.81 -43.85 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.9 t -74.01 -17.35 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.8 mt -111.12 -51.18 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.39 -147.26 17.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -111.44 -38.59 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -79.04 -25.43 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -93.05 -63.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ALA . 21.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.5 m -115.31 162.99 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.648 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 18.6 m-85 -55.3 -58.01 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.489 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 34.9 m-85 -41.65 -31.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.19 -47.13 15.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.81 -45.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 90.1 mt -76.85 -33.58 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.61 35.28 7.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 ' CB ' ' A' ' 27' ' ' ALA . 2.4 m -120.81 156.17 56.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HG2' ' CA ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.77 159.71 52.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 73.1 mmtt -60.42 -25.63 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -110.99 24.39 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . -60.39 138.78 57.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.454 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 46.8 t -84.13 157.79 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -43.56 -40.54 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.34 -45.62 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.454 ' NE2' ' HB3' ' A' ' 20' ' ' SER . 1.3 mp0 -65.03 -39.8 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mt -67.94 -52.56 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -57.0 -44.97 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -68.49 -51.62 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.457 ' CB ' HG12 ' A' ' 15' ' ' VAL . . . -54.71 -39.46 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 13.3 t80 -75.75 -51.74 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -42.8 -60.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 18.9 ptpt -51.55 -44.78 62.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 34' ' ' LYS . 55.7 mt -59.97 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.34 -37.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -68.02 -43.96 77.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.4 ttmm -64.47 -37.76 88.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.481 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 84.2 m-85 -109.86 22.86 15.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.1 t-80 -65.67 137.65 96.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.66 -51.83 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.27 -41.51 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.464 ' ND2' ' HB1' ' A' ' 45' ' ' ALA . 7.1 t-20 -85.38 125.05 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -91.86 16.31 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.5 p -101.42 147.07 33.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -45.96 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -36.68 72.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB1' ' ND2' ' A' ' 40' ' ' ASN . . . -45.99 -56.53 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.43 -40.93 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -52.6 59.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 20.6 mmmt -47.68 -53.98 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.69 -32.21 59.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.93 -21.59 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 52' ' ' ILE . 1.4 pt-20 -97.04 -31.5 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 ' N ' ' HG2' ' A' ' 51' ' ' GLU . 5.3 mt -70.64 -49.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -54.32 -59.89 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -48.52 -40.9 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 30.0 t80 -67.93 -53.41 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' TYR . 42.6 mt-10 -34.43 -48.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.433 HG22 ' CB ' ' A' ' 68' ' ' TYR . 14.3 m -68.15 -41.56 81.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 68' ' ' TYR . 22.2 mt -91.01 14.26 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 28.1 t -94.47 -51.16 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.99 -174.94 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.34 -66.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -55.42 -45.84 76.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -55.36 -53.45 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.42 -35.6 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -74.03 -45.82 47.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.648 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 48.9 t80 -63.62 -12.8 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.29 -35.24 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 t -79.8 -23.34 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.7 mt -103.77 -48.3 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.69 167.87 13.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -65.76 -49.05 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -75.55 -28.35 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.85 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 14.8 m -95.96 156.15 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 8.3 m-30 -46.5 -62.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CG ' ' HE3' ' A' ' 17' ' ' LYS . 28.8 m-85 -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -46.71 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.81 -38.24 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CD2' HG23 ' A' ' 52' ' ' ILE . 93.8 mt -89.97 -37.77 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.15 28.24 8.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.01 153.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.081 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 159.13 54.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.622 2.215 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HE3' ' CG ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.63 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -101.71 18.83 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.23 138.51 44.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 t -85.07 147.82 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.4 tt0 -35.54 -42.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -60.79 -45.9 92.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' SER . 46.3 mt-30 -65.11 -44.49 88.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.8 mt -56.46 -57.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 8.5 ptmt -64.32 -33.08 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.41 -52.2 62.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.71 85.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 19.8 t80 -59.33 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 7.8 m-70 -36.86 -66.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -43.97 -51.65 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.9 mt -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.77 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' LEU . 13.2 mmt -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 7.4 tmtm? -64.09 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.567 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 72.5 m-85 -104.03 11.4 35.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' ALA . 9.7 t-80 -54.45 129.1 61.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.8 -8.8 24.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -97.0 -25.0 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -49.41 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 45' ' ' ALA . 4.9 m-20 -73.26 106.73 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -82.58 49.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -135.48 152.63 76.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.802 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.97 9.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -40.43 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -47.67 -54.44 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -46.97 -51.1 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 1.8 mmpt? -46.93 -58.96 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -51.32 -36.87 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -53.25 -25.41 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -97.25 -28.19 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.453 HG23 ' CD2' ' A' ' 13' ' ' LEU . 5.5 mt -71.45 -43.87 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.29 -67.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -38.86 -47.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.18 -40.35 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.583 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 58.4 t80 -74.6 -47.59 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.56 -49.23 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.3 m -64.53 -55.1 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.78 -8.44 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 2.5 m -82.48 -55.2 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.68 175.59 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -70.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.18 -34.27 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -70.05 -53.47 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -64.43 -29.67 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -77.17 -59.37 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.75 -31.33 26.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 32.8 t80 -75.47 -22.77 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.31 -26.28 15.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.45 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 5.9 t -85.02 -37.79 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.45 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 11.5 mt -91.5 -40.81 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.55 -171.31 14.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 57.6 t60 -86.33 -42.59 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -82.6 -32.67 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.39 -58.72 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.3 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 m -124.02 155.61 37.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ILE . 14.9 m-30 -50.45 -61.25 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.76 -36.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.22 -43.04 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.2 mt -61.89 -47.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 61.6 mt -75.6 -36.08 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.44 33.23 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -116.87 154.19 49.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.72 156.89 62.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 32.1 mmtm -56.2 -33.92 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -101.12 22.44 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.98 141.52 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 57.6 m -91.4 148.79 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' SER . 21.0 tt0 -36.11 -34.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.2 ttm180 -66.71 -49.76 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 51.3 mt-30 -65.08 -38.36 90.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.412 HG23 ' CD2' ' A' ' 56' ' ' TYR . 23.4 mt -59.35 -56.6 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.3 OUTLIER -67.07 -32.33 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -65.9 -49.63 67.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.06 86.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.461 ' CD1' HG21 ' A' ' 52' ' ' ILE . 5.1 t80 -62.42 -64.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 9.2 m-70 -36.24 -58.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -52.72 -46.75 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' LYS . 45.7 mt -59.19 -60.4 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -34.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.1 mmt -68.88 -46.05 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.0 tttp -67.12 -27.89 67.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.502 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 97.3 m-85 -118.15 24.04 11.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.6 t-80 -66.87 122.63 83.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.7 -0.42 6.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.2 m-20 -105.28 -33.24 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -96.51 -39.39 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 17.9 t-20 -76.12 115.75 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.49 42.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 142.27 44.45 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.83 29.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.66 -35.1 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -55.27 -40.64 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.41 -41.84 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.6 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 26.9 mmmt -50.1 -55.35 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.5 -37.57 57.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -55.83 -22.06 22.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.69 -31.8 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 28' ' ' PHE . 4.9 mt -67.29 -44.47 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.99 -67.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -40.29 -40.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 9' ' ' TYR . . . -60.89 -45.2 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLU . 41.9 t80 -69.27 -58.13 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 63.1 mm-40 -34.49 -49.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 m -66.87 -49.36 65.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD22 ' CD2' ' A' ' 68' ' ' TYR . 60.2 mt -78.1 6.36 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' TYR . 33.0 t -94.87 -47.97 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.1 157.11 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.12 -66.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -51.74 -45.83 63.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -55.65 -57.54 11.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -62.32 -33.05 73.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -61.24 -37.61 83.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.75 -44.33 20.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.438 ' CD2' HD22 ' A' ' 59' ' ' LEU . 60.4 t80 -61.96 -19.25 62.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.66 -40.09 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 t -77.48 -23.34 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -104.11 -52.01 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.04 -147.76 16.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -113.1 -24.01 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -96.51 -25.96 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.04 -49.77 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -54.42 163.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -119.38 36.42 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 70.66 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -80.51 94.97 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -111.75 -176.03 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 156.42 -89.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -87.22 142.16 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 55' ' ' ALA . 15.5 m-30 -45.17 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 28.5 m-85 -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -77.07 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.1 mt -57.73 -37.87 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 95.5 mt -86.68 -35.99 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.81 32.26 9.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.5 m -114.82 152.54 46.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 163.78 37.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.562 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 38.5 mmtm -65.11 -24.07 67.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.35 18.53 20.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.73 133.04 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.0 t -73.72 148.42 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -40.42 -44.13 1.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' NH1' ' HG3' ' A' ' 23' ' ' GLN . 5.2 ptm180 -64.05 -36.23 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' SER . 49.9 mt-30 -69.09 -46.18 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.7 mt -55.83 -62.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 14.6 ptpt -56.48 -37.72 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -60.41 -51.79 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 6.2 t80 -51.7 -63.54 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' PHE . 7.8 m-70 -34.4 -63.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -46.02 -49.34 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' LYS . 60.6 mt -57.93 -63.53 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -36.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmt -67.0 -44.32 80.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.4 tttp -67.58 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -117.13 16.14 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.9 t-80 -71.08 138.75 84.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -26.8 27.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 0.8 OUTLIER -71.62 -30.88 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -102.97 -57.3 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.441 ' CG ' ' CB ' ' A' ' 45' ' ' ALA . 4.7 t-20 -58.79 129.77 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -88.64 -44.92 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -46.88 143.77 4.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.701 0.762 . . . . 0.0 110.814 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.78 24.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -36.12 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' CB ' ' CG ' ' A' ' 40' ' ' ASN . . . -44.89 -58.45 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -45.67 -47.01 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -51.35 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -48.83 -52.17 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.96 -26.5 36.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.67 -19.33 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -99.94 -31.63 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.8 mt -68.65 -45.71 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.68 -66.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -42.2 -38.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 9' ' ' TYR . . . -63.82 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 53.3 t80 -70.7 -54.61 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.2 mt-10 -34.69 -47.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 m -68.02 -49.36 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.3 mt -81.58 12.54 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' TYR . 17.7 p -95.15 -47.69 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.1 -175.0 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 -66.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -57.26 -44.79 84.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -54.14 -48.08 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.06 -31.95 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -64.08 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.1 -47.62 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 27.6 t80 -62.16 -8.56 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.4 -27.45 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.2 t -91.07 -22.31 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' O ' ' CB ' ' A' ' 75' ' ' ALA . 16.0 mt -104.12 -47.63 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.24 -178.73 17.21 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 83.7 t60 -69.7 -66.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 p -67.56 -26.6 66.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 71' ' ' LEU . . . -72.0 -56.58 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 9.3 t80 -62.19 -27.68 69.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 73' ' ' HIS . 17.2 p -93.24 49.77 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -126.0 85.58 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.59 -116.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -104.74 83.65 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.91 -176.14 43.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -75.77 120.09 20.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -110.36 -175.19 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.88 83.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.49 12.12 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 p -41.98 133.43 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.7 m -62.32 -54.83 34.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 p -105.37 41.68 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -154.64 148.23 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.02 -119.65 5.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 53.31 37.12 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 m -87.9 119.49 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . -120.65 -66.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -106.76 160.28 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.365 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ASP . 14.3 m-30 -56.69 -59.71 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -39.06 -28.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -85.53 -48.43 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.81 -41.05 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.8 mt -82.22 -44.35 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.66 37.3 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.49 151.79 73.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 165.77 29.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -66.28 -29.78 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.5 p -93.88 9.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' O ' ' NH2' ' A' ' 65' ' ' ARG . . . -51.27 136.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -90.84 160.84 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.18 -55.47 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 23' ' ' GLN . 10.3 ptm180 -52.04 -39.75 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.441 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.0 mm100 -67.67 -49.44 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.69 -40.48 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -64.5 -53.35 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -59.35 -45.51 91.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.85 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.676 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -66.62 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -38.77 -63.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -48.06 -48.47 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 34' ' ' LYS . 35.5 mt -56.66 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -37.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.9 mmt -65.71 -49.08 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.56 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.6 tmtm? -63.92 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 80.7 m-85 -110.08 16.07 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 14.2 t-80 -65.75 135.09 95.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -14.49 36.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.307 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.07 -47.62 8.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -80.86 -43.05 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.419 ' CG ' ' HB3' ' A' ' 45' ' ' ALA . 5.9 t-20 -74.58 118.33 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -94.07 43.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -132.44 152.38 79.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.44 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -54.27 -41.81 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.419 ' HB3' ' CG ' ' A' ' 40' ' ' ASN . . . -43.51 -53.52 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.16 -46.26 34.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -53.36 49.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.558 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 4.3 mmmm -42.83 -55.11 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.52 -38.97 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -55.19 -23.13 20.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.75 -26.85 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.468 ' CD1' ' CD2' ' A' ' 35' ' ' TYR . 5.6 mt -71.4 -43.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.95 -64.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -44.38 -36.96 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.93 -39.11 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.676 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 31.2 t80 -76.75 -50.02 14.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -39.64 -46.41 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.495 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 8.8 m -69.8 -45.94 66.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.2 mt -85.51 13.46 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.555 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 29.1 t -97.91 -46.3 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -83.46 -174.98 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.71 -65.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.89 -46.79 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -50.57 -47.2 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 21.0 ttt180 -72.4 -37.98 68.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -59.76 -42.56 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -72.66 -35.79 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -66.73 -24.37 66.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -94.86 -43.71 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.3 t -68.77 -27.88 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.0 mt -101.33 -51.13 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.28 -136.29 10.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 67.2 t60 -124.74 -38.41 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 t -73.68 -18.19 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.02 -67.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.495 ' CZ ' HG21 ' A' ' 58' ' ' THR . 17.6 t80 -38.85 -60.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.6 t -117.88 73.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.7 p -79.18 111.17 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.25 -123.64 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -164.8 132.0 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.366 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.41 -77.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.503 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.93 99.37 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -101.83 158.96 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 56.63 68.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.13 64.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 p -54.96 132.94 48.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.7 m -95.24 126.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -59.4 108.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m 52.47 46.33 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.87 -96.05 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m 51.25 42.92 29.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.373 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -111.89 161.14 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 73' ' ' HIS . . . 175.6 -75.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -98.84 145.94 26.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.477 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 16.8 m-30 -47.84 -67.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CD2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m-85 -36.49 -38.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -46.13 45.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' TYR . 70.2 mt -61.76 -35.99 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.9 mt -87.73 -36.54 17.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.51 34.49 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.57 154.72 49.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.107 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.42 45.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.464 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -62.23 -22.93 66.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -109.32 18.14 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.29 130.21 41.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.1 m -78.5 147.41 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' SER . 32.1 tt0 -35.3 -50.21 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 29.6 ttp180 -54.74 -43.32 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' SER . 35.6 mt-30 -65.87 -48.02 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.6 mt -51.38 -60.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.3 pttt -62.3 -35.38 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 20.5 mmtm -60.69 -44.85 96.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.53 61.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 29.1 t80 -60.18 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -40.78 -59.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -54.55 -46.99 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' LYS . 28.5 mt -55.92 -62.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.28 -38.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mmt -67.21 -40.21 86.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' LEU . 23.2 ttmt -68.79 -30.81 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 92.3 m-85 -113.91 20.11 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 10.9 t-80 -68.61 136.62 90.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -80.64 -46.9 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -78.99 -47.24 16.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.47 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 10.2 t-20 -69.19 -40.13 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm 50.46 49.25 21.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -135.79 151.79 74.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -44.99 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 -37.55 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -57.99 -48.35 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -47.5 -46.3 27.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.08 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -48.68 -52.89 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.83 -35.35 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -57.76 -23.07 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.26 -23.2 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.5 mt -74.89 -48.62 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -59.79 -66.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.42 -41.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.63 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.499 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 81.8 t80 -64.64 -53.98 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' TYR . 79.9 mm-40 -37.97 -44.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.42 HG23 ' CE2' ' A' ' 76' ' ' PHE . 57.4 m -72.65 -41.54 65.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD21 ' CE2' ' A' ' 68' ' ' TYR . 77.7 mt -82.92 0.2 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' TYR . 52.4 p -89.81 -48.88 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.17 157.92 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.18 -70.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.13 -49.1 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -51.84 -54.01 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -71.8 -38.04 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -77.48 -42.18 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.503 ' CE2' HD21 ' A' ' 59' ' ' LEU . 41.6 t80 -59.81 -25.86 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.39 -47.53 7.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 t -67.78 -24.95 65.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.9 mt -106.54 -49.53 3.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -140.97 15.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.404 ' NE2' ' O ' ' A' ' 7' ' ' GLY . 84.0 t60 -114.53 -52.72 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -62.37 -36.7 83.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.05 -63.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CE2' HG23 ' A' ' 58' ' ' THR . 69.4 t80 -42.03 -50.8 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 79.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -87.05 124.99 33.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.44 43.73 5.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -144.47 144.6 31.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.32 -41.71 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -48.05 -45.63 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.7 m -63.39 109.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.94 -158.16 12.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.35 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 t -110.16 124.29 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -99.55 -48.86 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -84.7 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -104.22 5.97 35.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 48.84 -93.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 90.1 p -36.85 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.1 m -37.29 -64.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.02 -115.2 6.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -97.95 155.14 17.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.468 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 16.0 m-30 -50.55 -52.7 36.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -41.16 -30.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.0 -48.17 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.39 -46.19 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.1 mt -76.98 -40.33 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.27 35.92 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.84 152.41 62.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HG2' ' CA ' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 159.75 52.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -59.38 -30.23 68.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -105.72 22.36 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . -56.24 141.32 41.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLN . 73.0 m -80.87 148.1 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -39.76 -48.33 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.15 -38.93 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.7 mt-30 -64.55 -42.24 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mt -63.13 -60.17 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -40.06 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -67.3 -48.9 66.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.424 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -60.38 -38.88 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.1 t80 -71.84 -58.82 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -44.38 -62.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 10.8 ptmt -48.75 -49.65 37.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 34' ' ' LYS . 26.5 mt -56.21 -65.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -33.91 -37.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.1 mmt -66.06 -48.28 71.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -63.79 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -111.11 19.12 18.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' ALA . 15.1 t-80 -68.02 134.57 91.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 -29.29 24.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -76.69 -51.7 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -74.59 -45.25 46.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 11.9 t-20 -83.1 139.28 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -117.53 73.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -150.34 149.85 27.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.702 0.763 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -27.22 27.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -32.83 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.467 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -52.38 -52.71 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.87 -50.1 36.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.98 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -45.36 -56.4 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -53.06 -40.57 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -53.28 -22.07 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.63 -26.63 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 mt -75.62 -44.6 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.96 -65.54 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -43.88 -39.24 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.74 -42.09 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.695 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 25.8 t80 -70.31 -51.05 33.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 27.9 mt-10 -34.46 -49.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.4 m -66.77 -50.09 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.4 mt -82.7 14.94 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' TYR . 11.3 t -94.18 -53.6 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -79.26 177.5 8.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.77 -67.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -53.59 -48.87 68.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -51.42 -51.79 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 17' ' ' LYS . 2.0 tmt_? -70.78 -26.8 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -71.0 -38.29 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -77.07 -37.28 54.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -62.6 -20.41 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.66 -34.62 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.4 t -82.92 -21.28 34.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.2 mt -108.78 -47.2 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.04 -141.17 16.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -123.74 -20.5 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.9 p -84.8 -25.18 28.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.14 -60.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -40.62 -58.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -103.81 -42.57 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t 55.86 51.7 11.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.95 85.51 1.55 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -132.38 144.3 50.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.09 -109.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -43.13 131.59 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 t -118.22 149.87 40.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.13 143.3 14.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.2 9.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 t -38.09 124.23 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -98.05 -56.79 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 139.31 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.805 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.02 168.11 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.81 -89.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 62.07 42.04 10.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -82.34 146.26 29.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.04 -76.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.539 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.561 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 46.3 m -98.46 154.55 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 17.5 m-85 -43.24 -57.82 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CD2' ' CD ' ' A' ' 17' ' ' LYS . 28.0 m-85 -34.4 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.8 t70 -78.1 -50.49 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 9' ' ' TYR . 42.7 mt -57.2 -36.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.8 mt -87.25 -34.03 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.18 30.24 13.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.7 m -115.24 155.32 47.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.164 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.47 27.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.618 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 29.5 mmtp -67.03 -21.87 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -109.96 17.6 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.0 132.37 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' GLN . 22.6 t -78.39 150.0 33.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.06 -44.61 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.5 tpt180 -64.2 -35.29 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.1 mt-30 -71.19 -43.81 66.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 38.5 mt -59.58 -63.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.493 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 15.0 ptmt -56.17 -30.77 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 13.4 mmtm -67.69 -51.54 48.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.73 87.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.67 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -64.08 -58.35 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -40.13 -62.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -50.61 -47.42 58.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' LYS . 39.6 mt -56.44 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.27 -37.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -66.35 -42.74 87.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.4 ttmm -66.34 -34.85 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -110.62 21.03 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.497 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 15.3 t-80 -66.48 139.47 96.14 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.497 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.75 -43.25 2.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.7 -54.64 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -66.79 -53.15 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.469 ' ND2' ' HB1' ' A' ' 45' ' ' ALA . 7.6 t-20 -71.77 124.03 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -97.4 38.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -125.52 152.37 71.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -46.52 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' HB1' ' ND2' ' A' ' 40' ' ' ASN . . . -47.45 -54.75 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -47.75 -43.94 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.77 37.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -45.93 -50.31 14.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.75 -28.49 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.36 -17.06 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -101.62 -24.51 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mt -76.8 -46.03 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.17 -62.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -45.9 -36.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.447 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.31 -41.92 89.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.67 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 80.9 t80 -74.49 -52.17 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 80.8 mm-40 -34.44 -39.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.536 HG22 ' CZ ' ' A' ' 76' ' ' PHE . 19.2 m -77.93 -51.83 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.3 mt -77.18 4.88 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 97.3 p -93.86 -52.6 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.18 159.72 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.81 -71.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -49.52 -45.58 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -57.71 -56.32 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -62.8 -29.51 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -66.87 -50.63 61.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.32 -38.12 89.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 45.1 t80 -66.73 -12.6 59.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.8 -39.4 7.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -77.23 -20.19 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 mt -107.78 -45.91 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.8 -141.7 15.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 58.5 t60 -115.63 -47.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -71.54 -31.87 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.05 -51.49 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.536 ' CZ ' HG22 ' A' ' 58' ' ' THR . 19.3 t80 -54.63 -18.58 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.9 p -100.44 52.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.2 t -131.47 153.57 49.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.23 -54.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -74.51 -53.96 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -109.87 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.544 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -131.85 119.58 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -99.89 158.96 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.43 83.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 143.14 49.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.6 m -81.03 108.51 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' SER . 70.8 m 34.44 44.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -129.77 164.05 24.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -68.66 152.77 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.83 -61.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -144.23 130.93 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -63.5 163.7 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 -94.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.45 141.33 36.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.601 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 15.2 m-30 -41.72 -62.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 19.8 m-85 -34.5 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' TYR . 6.5 t70 -78.98 -49.52 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.6 mt -59.69 -40.05 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.5 mt -80.72 -39.75 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.91 37.42 4.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.77 155.29 63.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 0.0 111.101 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.25 46.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 48.8 mmtt -61.95 -26.89 68.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -100.18 13.82 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.85 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 m -83.03 152.42 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' SER . 19.3 tt0 -37.51 -50.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 13.2 ptp180 -57.67 -41.52 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 75.3 mt-30 -63.38 -45.33 91.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.05 -45.76 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.68 -57.68 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 1.1 mptm? -56.25 -42.91 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.72 94.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.572 ' CE1' ' HA ' ' A' ' 53' ' ' ALA . 50.9 t80 -71.59 -57.06 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -42.51 -66.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -46.45 -50.47 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 48.3 mt -53.45 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.09 -35.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.67 -41.49 75.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.1 ttmt -67.95 -29.12 68.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.5 m-85 -117.1 21.29 13.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ALA . 12.6 t-80 -67.02 137.09 94.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.7 -25.41 28.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -83.6 -50.21 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -70.89 -42.71 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 9.2 t-20 -83.29 134.58 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -101.59 30.19 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.86 31.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.08 15.3 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.89 -35.91 77.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -45.51 -50.93 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -48.12 -46.9 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.08 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -46.06 -56.33 5.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.52 -41.51 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 13.6 tpt85 -53.41 -25.79 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -93.37 -24.38 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG21 ' CD1' ' A' ' 28' ' ' PHE . 5.7 mt -74.91 -44.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.572 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -62.96 -64.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -39.7 -40.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.542 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -68.19 -39.42 82.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 52.3 t80 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -37.05 -42.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -73.57 -42.91 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' TYR . 33.3 mt -90.35 13.77 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 9.8 p -95.27 -50.03 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.76 -176.54 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.64 -67.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.07 -47.05 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -52.38 -49.63 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.27 -30.53 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -68.21 -26.13 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -86.48 -50.39 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 22.0 t80 -54.89 -14.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.27 -48.66 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.453 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 1.3 t -69.47 -19.84 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 18.4 mt -113.3 -42.37 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 87.1 147.09 11.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.531 ' CE1' HG23 ' A' ' 77' ' ' THR . 8.7 t60 -48.99 -34.74 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -60.01 -32.65 71.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -108.58 -61.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' ALA . 33.1 t80 -34.86 -67.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.531 HG23 ' CE1' ' A' ' 73' ' ' HIS . 6.0 t -98.19 -26.36 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t 38.09 49.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.72 167.04 41.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.09 -127.01 8.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 83' ' ' SER . 0.9 OUTLIER -175.18 116.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.403 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 62.3 p -78.74 132.42 36.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.39 83.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.56 68.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -119.84 -51.0 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.2 t -112.88 169.98 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -97.25 88.33 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -166.19 173.29 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.31 67.44 0.51 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -74.6 163.56 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -121.96 130.31 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . -100.48 -94.84 2.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -103.99 166.55 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -61.16 -57.66 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 17' ' ' LYS . 28.0 m-85 -40.87 -28.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.09 -46.45 10.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.1 -45.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 86.6 mt -78.72 -35.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.91 33.11 7.16 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.47 154.05 59.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 mptt -65.48 -27.16 68.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -105.24 18.23 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.59 138.78 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.2 t -83.87 148.13 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 31.2 tt0 -35.7 -50.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -55.84 -43.65 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 20' ' ' SER . 6.1 mt-30 -63.39 -46.86 84.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.53 -51.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -61.05 -46.74 89.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.39 -41.24 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.77 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.733 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -60.98 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' PHE . 5.3 m170 -36.17 -62.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -46.35 -48.31 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 34' ' ' LYS . 44.2 mt -59.88 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.48 -35.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.032 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.6 mmt -68.68 -43.11 76.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -65.66 -34.02 77.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.485 ' CD1' ' CB ' ' A' ' 48' ' ' LYS . 97.3 m-85 -113.7 22.86 13.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.6 t-80 -64.88 126.69 91.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.79 -1.01 7.77 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.8 -40.85 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -94.43 -36.91 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' CG ' ' HB1' ' A' ' 45' ' ' ALA . 5.3 t-20 -76.4 106.96 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -86.17 45.71 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.2 m -133.57 148.52 69.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -41.47 4.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.03 -37.03 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB1' ' CG ' ' A' ' 40' ' ' ASN . . . -54.61 -48.39 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.11 -50.56 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -60.46 -55.11 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CB ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 mmpt? -40.21 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.2 -35.89 60.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.22 -23.56 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -94.44 -29.01 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.415 HD12 ' CD2' ' A' ' 35' ' ' TYR . 1.4 mt -76.12 -49.03 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.93 -62.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.25 -40.59 16.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.733 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 26.5 t80 -74.49 -52.82 10.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 10.0 mm-40 -34.44 -52.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.466 HG22 ' CB ' ' A' ' 68' ' ' TYR . 21.6 m -64.13 -51.29 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.537 HD23 ' CE2' ' A' ' 68' ' ' TYR . 41.6 mt -76.19 3.75 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 22.5 t -93.5 -55.9 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.72 153.53 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -70.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -49.97 -46.13 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -55.76 -57.39 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -62.46 -31.28 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -65.48 -35.85 82.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -78.71 -47.91 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.537 ' CE2' HD23 ' A' ' 59' ' ' LEU . 57.8 t80 -57.99 -21.88 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.11 -39.93 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.9 t -78.74 -17.62 55.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.19 -50.48 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 124.06 -142.0 13.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 63.7 t60 -118.16 -31.25 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t -86.2 -24.61 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.78 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -50.16 -39.0 42.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.2 t -133.75 77.99 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -83.84 143.02 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.27 88.63 2.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -9.42 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.09 69.71 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -143.49 155.77 44.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -108.55 133.76 52.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.71 146.18 15.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 175.03 8.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -163.31 134.04 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.9 p -48.07 168.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -89.83 -53.74 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -99.67 144.4 28.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.57 76.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -164.98 145.13 7.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -91.35 -60.97 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.93 -125.68 7.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -96.67 153.74 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 16.2 m-30 -44.66 -64.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.513 ' CE2' ' HA ' ' A' ' 17' ' ' LYS . 15.8 m-85 -35.68 -38.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -42.73 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' TYR . 54.9 mt -62.5 -46.92 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -75.5 -42.52 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 35.17 3.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 2.5 m -125.11 152.39 70.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.78 160.58 49.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 10.6 mptt -60.12 -27.79 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -104.34 20.73 17.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . . . -64.05 138.93 58.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' GLU . 31.6 t -88.29 149.28 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -33.91 -60.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -40.11 -44.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' SER . 45.0 mt-30 -68.3 -38.87 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mt -65.72 -62.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 21' ' ' GLU . 39.7 mttt -48.46 -45.51 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -67.53 -54.51 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.32 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.663 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 12.8 t80 -79.3 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -38.61 -56.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -55.79 -40.0 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' LYS . 34.6 mt -65.89 -58.45 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.45 -38.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.82 -33.94 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttpt -71.75 -35.1 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' HA ' ' ND2' ' A' ' 40' ' ' ASN . 92.3 m-85 -113.11 17.71 18.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' ALA . 8.8 t-80 -59.06 135.43 87.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -0.87 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -111.54 -20.26 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -99.87 -37.72 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.472 ' ND2' ' HA ' ' A' ' 35' ' ' TYR . 14.7 m-20 -84.12 122.32 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -90.21 35.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -130.41 153.85 81.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -53.52 -37.37 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.58 -57.58 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -46.16 -46.35 17.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.35 82.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.64 -56.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.31 -35.69 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -53.67 -22.18 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.59 -26.06 14.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.1 mt -75.64 -47.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -58.61 -63.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -46.79 -34.42 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 56.2 t80 -77.07 -52.74 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' TYR . 72.5 mm-40 -34.62 -44.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.7 m -74.3 -48.85 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.3 mt -80.42 10.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 85.5 p -99.29 -45.72 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.88 171.15 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.35 -69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -52.44 -42.32 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -60.87 -55.93 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -62.94 -31.08 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -64.21 -40.81 96.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -72.58 -49.9 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 54.2 t80 -56.42 -28.8 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -84.54 -43.68 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -74.34 -19.26 60.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.2 mt -109.6 -52.58 2.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.38 -148.03 17.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.45 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 81.6 t60 -102.77 -60.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -33.61 73.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.82 -51.97 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 8.7 t80 -63.67 -11.43 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.3 p -107.43 45.42 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -85.2 111.28 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.78 -56.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -158.58 147.26 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 171.49 104.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 139.56 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -163.18 163.61 25.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.57 67.57 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 151.48 69.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -90.9 98.49 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -87.1 -49.14 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -133.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -122.72 141.61 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.11 -177.25 3.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -129.21 165.4 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.835 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m -60.51 139.03 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.89 -75.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.495 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 66.9 m -100.36 150.1 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.484 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 m-30 -45.4 -62.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.92 -32.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -85.86 -46.03 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -55.8 -38.7 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 52' ' ' ILE . 96.2 mt -90.73 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.08 31.2 10.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.28 152.37 49.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 168.46 21.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -66.86 -30.9 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -100.06 15.78 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.36 123.77 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLN . 10.4 t -70.27 148.28 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' SER . 38.5 tt0 -37.12 -45.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.05 -41.49 92.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' SER . 41.5 mt-30 -63.38 -44.15 95.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.0 mt -63.65 -54.97 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -53.7 -46.79 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 18.1 mttm -63.65 -51.06 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.732 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.1 t80 -68.61 -55.37 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -41.1 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -45.99 -51.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 34' ' ' LYS . 75.1 mt -51.82 -63.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.02 -34.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.44 -39.95 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 30.5 tttp -68.96 -31.69 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.0 m-85 -116.04 15.72 16.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -53.76 124.97 45.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 0.48 5.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.91 -40.36 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -89.25 -39.86 13.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -70.31 131.96 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 41.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -129.46 151.09 77.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.684 0.754 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.93 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.29 -54.84 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -47.29 -40.41 16.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.32 -53.27 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -46.93 -54.62 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -55.7 -32.11 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -60.67 -21.67 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.86 -27.13 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.46 HG23 ' CD2' ' A' ' 13' ' ' LEU . 5.3 mt -71.03 -42.46 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -65.59 -62.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -42.62 -44.95 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -62.22 -43.73 98.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.732 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.5 t80 -67.17 -55.14 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' TYR . 19.1 mt-10 -35.55 -46.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.7 m -68.63 -50.04 54.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.461 HD21 ' CD2' ' A' ' 68' ' ' TYR . 46.6 mt -76.44 2.47 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.9 t -90.71 -49.93 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.1 167.32 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.01 -68.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.38 -45.14 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -57.22 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -64.45 -29.44 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -67.13 -42.72 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -69.31 -50.18 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.461 ' CD2' HD21 ' A' ' 59' ' ' LEU . 54.8 t80 -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.31 -39.44 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 t -80.36 -17.43 51.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 27.3 mt -111.54 -48.21 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.62 -163.37 12.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.53 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 18.3 t60 -98.3 1.75 47.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -112.45 -29.22 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.5 -48.75 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.66 -41.75 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.4 p -91.23 68.69 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -113.92 87.73 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.72 -73.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -136.14 148.63 48.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.78 -174.66 20.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -161.3 159.77 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.6 p -87.16 -45.34 10.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.64 165.63 0.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 116.81 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -99.6 124.97 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m 47.46 42.2 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -51.6 125.24 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -116.3 83.1 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.02 89.49 1.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -88.09 153.76 21.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 p -38.41 -55.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.64 -151.37 49.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -83.35 153.85 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.639 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 18.4 m-85 -41.62 -61.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.458 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 46.5 m-85 -36.21 -34.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 5.5 t70 -79.49 -48.18 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' TYR . 52.1 mt -58.52 -41.95 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.8 mt -82.07 -34.02 29.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.17 8.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 m -118.3 154.58 52.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 162.9 40.28 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.709 2.272 . . . . 0.0 112.383 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 35.4 mmtm -63.97 -21.02 66.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -110.64 15.69 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' O ' ' NH2' ' A' ' 65' ' ' ARG . . . -53.3 125.32 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.3 m -71.85 148.91 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.9 tt0 -37.79 -48.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.07 -43.14 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 57.6 mt-30 -62.99 -48.39 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.52 -52.61 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -55.12 -47.67 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -59.71 -51.77 68.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.64 -49.38 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.587 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 16.9 t80 -62.01 -52.57 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -45.49 -68.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 1.3 ptpm? -44.9 -47.69 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' LYS . 73.6 mt -56.42 -64.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.41 -35.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mtt -69.3 -44.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttmm -64.84 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.42 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 98.5 m-85 -120.39 25.64 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' ALA . 3.4 t-80 -64.07 124.1 84.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.76 1.2 4.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.44 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 2.0 m-20 -104.92 -34.75 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -71.07 131.83 44.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -104.17 42.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m -137.74 149.14 63.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.689 0.757 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -48.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -50.34 -46.55 55.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.85 -50.75 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -47.91 -40.39 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.19 63.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 35' ' ' TYR . 2.9 mmmp? -50.99 -54.99 19.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.8 -29.14 53.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -62.02 -20.8 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -98.17 -22.71 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.95 -50.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.58 -62.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -49.4 -39.82 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.517 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.64 -33.54 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 44.1 t80 -79.86 -54.08 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -40.05 -36.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.3 m -76.5 -41.26 47.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 mt -92.45 12.82 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 4.0 p -100.31 -38.14 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.29 -175.04 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 -66.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 0.6 OUTLIER -57.01 -43.88 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -54.75 -51.02 66.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 8.5 ttt180 -69.81 -30.98 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -65.65 -35.3 80.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -80.11 -45.49 18.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.639 ' CE1' ' CE2' ' A' ' 9' ' ' TYR . 77.3 t80 -60.92 -21.32 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.69 -46.15 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 t -65.7 -34.24 77.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.7 mt -95.02 -39.34 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 90.29 139.63 7.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 77' ' ' THR . 10.5 t60 -42.09 -45.77 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -51.36 -37.97 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -100.4 -65.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' ALA . 66.1 t80 -34.69 -40.91 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -129.87 75.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -107.86 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.26 153.3 6.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -151.35 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.59 -143.71 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -51.07 132.78 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -154.24 136.7 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.44 -93.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 91.46 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -128.23 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -85.38 171.31 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -114.63 122.62 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -64.77 115.8 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.74 53.5 4.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.3 t -89.39 95.11 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' SER . 68.2 p -35.89 -53.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.26 -119.88 6.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 m -105.55 153.14 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.6 m-85 -40.59 -61.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' TYR . 25.6 m-85 -34.98 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 10.8 t0 -79.7 -52.34 8.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.11 -42.41 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 87.6 mt -81.13 -39.15 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 29.26 8.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.59 153.23 47.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.714 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 162.04 43.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -28.27 69.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -102.84 17.18 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.47 132.29 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.1 m -78.22 149.87 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.7 tt0 -35.85 -45.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -60.6 -44.12 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' SER . 39.1 mt-30 -60.74 -42.25 96.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -67.36 -50.61 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -61.92 -35.25 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.04 -49.73 22.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.15 89.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.682 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 14.3 t80 -64.03 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' PHE . 4.9 m170 -35.45 -59.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -51.95 -46.79 64.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' LYS . 55.8 mt -57.71 -57.15 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.8 -37.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.2 mmt -72.91 -36.21 67.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.5 ttpt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 98.1 m-85 -122.41 24.72 9.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.4 t-80 -61.18 125.13 83.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.418 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.73 -5.31 15.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.745 2.297 . . . . 0.0 112.338 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.7 -46.12 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -80.9 -39.56 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 13.8 t-20 -77.62 137.94 38.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -113.29 51.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -138.83 154.55 72.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.2 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.18 -42.89 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -51.09 -49.75 60.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.41 -42.05 66.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.0 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.482 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 11.6 mmtm -57.04 -59.8 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -51.65 -39.32 57.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -53.72 -22.98 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -98.62 -30.45 12.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.53 -44.18 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.525 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.08 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -43.74 -36.04 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.88 -41.85 86.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 46.5 t80 -71.8 -50.61 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' TYR . 52.7 mt-10 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.528 HG22 ' CE1' ' A' ' 76' ' ' PHE . 12.8 m -68.31 -50.16 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.02 11.93 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' TYR . 30.5 t -92.27 -51.54 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -76.66 -175.0 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.49 -65.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.29 -41.02 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.13 -54.03 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.46 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -65.19 -45.27 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.78 -45.48 64.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 38.6 t80 -61.59 -10.24 7.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.24 -37.23 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 t -80.29 -21.17 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.4 mt -104.01 -48.24 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.4 -132.02 7.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -125.32 -51.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -70.93 -12.61 61.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -68.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CE1' HG22 ' A' ' 58' ' ' THR . 7.5 t80 -41.63 -39.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 t -128.45 70.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -99.98 82.64 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.8 -118.86 3.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -88.64 -46.54 8.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.17 115.7 0.56 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -98.95 40.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -79.48 112.49 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.72 146.23 33.71 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.4 36.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t -58.91 -60.2 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 m -47.71 162.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m 51.0 44.35 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -101.34 164.33 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.53 -177.87 1.29 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -138.13 175.13 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -146.11 162.11 38.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.65 -86.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.411 ' HA ' ' ND1' ' A' ' 73' ' ' HIS . 81.9 p -73.86 140.52 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 13.9 m-85 -41.25 -60.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 30.4 m-85 -38.54 -36.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -75.66 -49.86 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.35 -41.45 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.7 mt -81.68 -43.06 19.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.39 34.25 4.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.35 154.3 50.29 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' HG2' ' CA ' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.73 158.75 55.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 36.6 mmtm -59.78 -26.23 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -108.26 18.37 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . -53.48 137.04 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' GLN . 67.3 m -79.16 150.68 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -40.68 -35.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 12.3 ttm105 -73.4 -36.33 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.5 mt-30 -68.79 -35.74 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.9 mt -68.79 -58.18 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.63 -31.7 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 27.2 mmtt -68.55 -52.31 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.84 87.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.547 ' CD1' HG21 ' A' ' 52' ' ' ILE . 5.2 t80 -71.42 -53.38 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -40.66 -61.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 16.5 ptpt -52.67 -47.37 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 34' ' ' LYS . 68.7 mt -55.41 -64.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.17 -38.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.31 -49.63 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 25.0 tttm -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.513 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.1 m-85 -114.22 22.17 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.3 t-80 -67.17 124.87 90.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.2 Cg_endo -69.8 1.63 4.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 27.3 m-20 -103.44 -41.34 6.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -90.67 -35.8 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -78.9 117.78 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -90.82 49.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -136.1 142.29 39.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.08 17.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.77 -36.04 77.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.03 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.9 -36.63 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.09 -52.52 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -48.12 -52.56 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -54.09 -33.69 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.2 -22.15 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -97.28 -30.38 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.547 HG21 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -70.01 -46.84 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.32 -65.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -42.1 -43.87 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -58.47 -47.02 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 40.7 t80 -66.8 -47.29 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -39.46 -40.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.9 m -77.2 -49.45 15.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD22 ' CD2' ' A' ' 68' ' ' TYR . 37.8 mt -74.71 -1.36 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 82.6 p -86.25 -56.1 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.97 154.17 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.14 -70.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -50.38 -47.17 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -53.51 -56.06 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -67.34 -27.09 66.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -60.44 -45.68 92.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -74.57 -44.09 52.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 84.0 t80 -60.55 -10.77 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.08 -45.02 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.3 t -73.59 -20.65 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -107.02 -42.01 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.3 -144.16 18.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.411 ' ND1' ' HA ' ' A' ' 8' ' ' SER . 78.6 t60 -110.19 -61.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -63.18 -29.51 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.22 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.07 -22.39 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 59.0 p -98.77 34.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -70.81 122.69 20.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.69 32.9 4.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -136.03 158.14 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -140.13 -177.38 15.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -109.05 134.26 51.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.7 m -115.98 -44.64 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.28 149.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.9 27.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -98.39 135.38 40.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.3 p -125.71 145.83 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -132.13 170.5 14.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -60.47 122.96 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -126.35 1.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -169.74 174.03 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -65.16 -72.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.68 -123.4 6.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 m -99.46 163.88 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.8 m-85 -54.02 -59.23 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -42.27 -26.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.64 -40.59 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -67.33 -47.17 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 79.5 mt -74.89 -33.72 62.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.86 36.55 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 HG11 ' CB ' ' A' ' 27' ' ' ALA . 4.9 m -123.35 152.9 65.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 155.88 64.64 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -59.06 -22.0 60.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.65 18.69 20.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.62 137.23 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.5 t -82.15 151.37 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.5 tt0 -34.76 -52.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -55.1 -45.11 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.5 mm100 -59.31 -43.52 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.95 -54.07 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -57.4 -46.5 83.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -65.73 -44.32 86.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' CB ' HG11 ' A' ' 15' ' ' VAL . . . -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.663 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 12.7 t80 -75.7 -55.55 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -43.11 -65.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -44.84 -50.45 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 50.3 mt -55.3 -62.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.61 -34.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.3 mmt -68.62 -48.58 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.1 tttt -63.9 -32.39 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 97.8 m-85 -113.6 21.59 14.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.94 120.95 65.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.79 0.57 5.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.405 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -100.98 -33.2 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -98.99 -39.91 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -69.3 130.45 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -107.17 56.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -145.31 143.63 20.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -17.25 37.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.27 -34.72 31.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -50.04 -41.58 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.04 65.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -50.42 -56.34 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -56.61 -31.26 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -62.44 -20.31 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -98.65 -32.02 11.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 mt -70.05 -47.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -66.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -43.86 -37.22 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -69.1 -43.91 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 28.1 t80 -68.44 -52.45 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' TYR . 6.3 mm-40 -35.37 -50.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -66.7 -42.76 85.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' TYR . 70.9 mt -85.82 8.98 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' CZ ' ' A' ' 56' ' ' TYR . 23.1 t -99.33 -38.8 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.88 166.52 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.35 -71.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -50.33 -47.09 56.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.03 -55.61 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.26 -29.0 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -69.29 -43.07 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -72.72 -44.93 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 42.8 t80 -60.69 -30.21 69.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -87.09 -44.24 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.431 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 3.0 t -68.6 -27.83 66.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.431 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 16.1 mt -104.07 -45.46 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 -155.23 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -92.97 -52.61 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.8 t -78.14 -40.04 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.29 -39.52 92.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -72.22 -39.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 51.0 p -84.26 51.21 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.49 49.29 1.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -111.22 99.67 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.57 -46.76 9.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -68.03 166.8 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.6 m -138.45 159.74 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.24 83.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.763 2.309 . . . . 0.0 112.289 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.5 m -119.04 110.67 17.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -133.82 84.61 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p 40.99 46.24 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -74.7 -44.84 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -87.6 143.16 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -92.42 108.04 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.804 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.494 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . -137.65 -58.14 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -104.08 155.71 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ASP . 15.1 m-30 -51.07 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' TYR . 22.0 m-85 -36.92 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -82.35 -47.19 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' TYR . 65.3 mt -59.69 -42.01 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.8 mt -81.79 -37.56 26.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.15 32.51 7.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.425 HG12 ' CB ' ' A' ' 27' ' ' ALA . 16.1 m -122.68 152.34 61.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 111.112 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 171.28 14.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.39 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -29.6 66.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -93.27 5.21 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.46 131.28 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.5 m -83.23 154.39 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -38.81 -48.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.67 -38.86 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' SER . 13.3 mm100 -66.15 -47.08 75.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -62.36 -53.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -54.73 -45.63 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -65.31 -43.4 91.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.425 ' CB ' HG12 ' A' ' 15' ' ' VAL . . . -63.08 -40.92 99.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 53' ' ' ALA . 49.3 t80 -71.22 -55.17 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -45.25 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 10.0 ptpt -45.95 -48.6 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.506 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 37.2 mt -56.39 -63.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.15 -34.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -68.75 -44.63 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.557 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 26.3 tttp -65.27 -36.08 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 86.6 m-85 -110.09 17.81 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.8 t-80 -58.5 119.86 39.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.2 Cg_endo -69.72 -3.55 12.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.47 -38.42 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.68 -35.39 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -75.04 121.36 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 47.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -133.52 143.05 46.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.2 8.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.09 -40.38 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -45.58 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.35 -40.98 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.49 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.74 -53.62 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -54.57 -31.24 56.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -62.86 -21.32 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -96.03 -27.16 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -73.22 -46.8 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -56.95 -64.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.07 -38.43 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.44 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.93 -46.76 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' SER . 50.9 t80 -68.79 -54.06 18.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' TYR . 7.8 mm-40 -34.47 -44.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.6 m -72.65 -48.28 40.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD21 ' CD2' ' A' ' 68' ' ' TYR . 25.2 mt -83.09 11.78 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' TYR . 41.9 t -91.7 -53.68 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.02 -174.96 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.25 -65.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -54.23 -41.46 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -62.06 -54.87 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.99 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -65.29 -48.25 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -65.2 -48.5 73.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CD2' HD21 ' A' ' 59' ' ' LEU . 69.6 t80 -56.83 -13.32 2.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.62 -44.03 5.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.4 t -75.0 -15.66 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.6 mt -110.77 -42.83 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.89 -179.16 25.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.576 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 27.2 t60 -87.64 -1.8 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -104.28 -25.07 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.04 -55.94 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -48.55 -27.21 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 p -94.62 48.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.6 p -84.12 107.18 16.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.36 -80.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -120.78 106.13 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.325 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.69 -158.0 10.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' SER . 12.8 tm0? -128.39 138.08 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.7 p -34.59 143.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -160.91 75.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.19 8.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -61.04 124.98 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.2 p -69.38 139.23 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -86.14 91.42 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -111.11 147.39 34.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.83 93.78 0.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -100.86 138.4 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 p -79.84 161.93 25.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.75 -74.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -99.36 158.08 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 17.5 m-85 -50.93 -60.26 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 31.7 m-85 -39.18 -33.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.13 -44.91 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.59 -42.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.32 -36.37 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.05 36.68 5.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -120.87 153.45 57.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 111.118 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 159.83 51.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.491 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 26.8 mmtp -60.59 -23.65 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.52 19.33 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.15 129.27 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.1 t -76.46 154.16 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 15.5 tt0 -37.25 -53.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -54.91 -42.12 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.8 mt-30 -62.97 -43.48 98.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -67.85 -44.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -66.04 -38.35 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -70.88 -48.05 55.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.98 93.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.715 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.1 t80 -71.18 -54.22 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -42.95 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -43.31 -51.12 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 ' N ' ' CG ' ' A' ' 30' ' ' LYS . 49.8 mt -54.37 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.24 -34.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' LEU . 14.4 mmt -70.93 -46.69 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 29.5 tttt -63.96 -29.27 70.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' A' ' 48' ' ' LYS . 97.3 m-85 -119.81 24.45 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.7 t-80 -65.3 121.35 74.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.26 3.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.71 2.274 . . . . 0.0 112.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -109.23 -30.67 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -99.82 -38.8 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 20.9 t-20 -72.54 -37.24 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.11 42.28 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -122.6 153.67 62.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.696 0.76 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -36.25 11.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -35.98 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -58.57 -48.68 80.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.75 -46.88 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.19 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -48.33 -62.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -52.31 -36.05 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.86 -21.74 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -100.26 -30.72 11.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mt -72.65 -43.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.43 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -45.54 -37.11 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.84 -39.05 90.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.715 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 41.5 t80 -74.31 -51.07 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -37.71 -48.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.454 HG23 ' CE2' ' A' ' 76' ' ' PHE . 11.6 m -66.06 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 68' ' ' TYR . 14.3 mt -82.72 12.53 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' TYR . 13.6 t -91.64 -53.29 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.66 -175.0 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.78 -65.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -55.11 -44.02 74.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -57.78 -54.83 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.63 -29.5 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -66.18 -49.5 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HA ' ' CG2' ' A' ' 70' ' ' THR . 15.6 mt-10 -66.87 -36.89 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD2' HD23 ' A' ' 59' ' ' LEU . 80.0 t80 -63.0 -32.74 74.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.63 -45.76 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' ' 67' ' ' GLU . 4.3 t -65.91 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.415 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 18.7 mt -102.54 -51.12 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.93 -138.58 11.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -113.72 -44.41 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -75.34 -40.14 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.88 -50.48 13.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 58' ' ' THR . 52.2 t80 -52.55 -33.93 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -84.54 50.21 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 t -98.07 114.8 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.19 -43.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -124.59 96.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.82 -140.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 58.33 40.74 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.1 t -114.43 -51.07 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.5 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 152.69 69.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.6 t -119.61 147.36 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.4 p -65.61 -46.23 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -101.98 41.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p 44.64 39.85 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.88 125.33 3.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -59.9 -57.37 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -120.44 121.5 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.66 -75.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -81.06 145.29 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' TYR . 14.0 m-30 -40.65 -60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' TYR . 23.0 m-85 -34.83 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.7 t70 -79.06 -47.9 15.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' TYR . 59.1 mt -57.1 -40.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 79.0 mt -83.68 -39.96 19.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.27 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.43 152.6 51.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.594 0.711 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 159.64 52.61 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -29.43 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -99.76 17.2 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.04 141.62 55.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -85.01 159.02 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -49.18 -45.55 44.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -64.65 -28.77 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -76.76 -33.62 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -71.21 -57.03 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.8 pttp -54.31 -43.0 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.45 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 15.4 mtmt -63.17 -52.49 62.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.63 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.526 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 6.1 t80 -71.26 -49.24 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 7.0 m170 -45.29 -63.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -46.99 -42.82 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' LYS . 76.7 mt -62.73 -62.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.86 -34.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.46 -41.14 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.0 tttp -68.93 -26.75 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -121.76 24.14 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -66.44 124.83 89.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.79 0.87 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -104.45 -42.55 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -89.14 -35.92 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 32.6 t-20 -79.7 110.12 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.14 43.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.1 m -131.85 144.09 51.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.3 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -46.71 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -43.89 -48.08 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.19 -45.25 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.51 78.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -54.59 -57.6 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.9 -39.53 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -52.53 -23.87 7.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -96.93 -29.21 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mt -71.31 -47.46 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.21 -66.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -40.92 -42.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -58.1 -46.18 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.532 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 73.6 t80 -71.63 -52.96 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.8 mm-40 -34.45 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 m -74.66 -48.01 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' TYR . 11.6 mt -84.2 11.32 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 56' ' ' TYR . 5.1 p -90.79 -60.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' OG ' ' A' ' 60' ' ' SER . 1.6 t70 -69.56 -177.57 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.16 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.14 -42.74 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -58.37 -56.25 24.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -63.15 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -39.09 87.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -72.63 -50.28 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 73' ' ' HIS . 48.5 t80 -59.23 -20.1 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.89 -40.17 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 t -75.92 -21.0 57.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.23 -42.05 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' HIS . . . 98.58 136.12 9.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 68' ' ' TYR . 14.5 t60 -36.8 -47.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -54.9 -58.36 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -72.95 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 49.8 t80 -34.78 -38.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 69.6 p -84.82 48.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.3 p -98.44 132.99 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -43.3 1.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.64 83.19 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.16 42.14 2.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -111.53 85.9 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.2 p -153.42 143.26 22.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.73 143.53 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.6 p -169.57 157.3 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 t -137.18 123.8 21.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 -47.94 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -127.8 115.77 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.96 148.36 18.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -95.96 113.22 24.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -54.26 150.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 -47.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 t -122.54 162.63 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 18.6 m-85 -61.86 -53.06 60.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -44.75 -24.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -47.75 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -57.75 -38.94 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' A' ' 52' ' ' ILE . 95.5 mt -86.22 -42.75 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.78 35.23 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.67 155.15 50.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 160.15 50.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.56 -25.93 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -108.01 20.64 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.42 152.38 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.2 t -103.43 156.35 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -41.2 -43.42 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -60.42 -37.5 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 43.6 mt-30 -76.17 -44.17 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.5 mt -63.41 -38.3 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.36 -30.26 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -77.08 -51.07 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -59.17 -36.87 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.0 t80 -75.1 -58.32 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -42.46 -60.52 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 9.4 ptmt -50.03 -49.85 49.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 34' ' ' LYS . 32.1 mt -56.5 -63.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.09 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.0 mmt -68.75 -48.37 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.1 ttmt -62.11 -34.09 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 98.4 m-85 -115.32 24.98 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.0 t-80 -63.89 120.76 66.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.81 -2.77 10.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -103.21 -35.37 8.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -91.97 -37.98 12.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.439 ' ND2' ' HB3' ' A' ' 45' ' ' ALA . 18.4 t-20 -74.97 129.01 36.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -97.89 40.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.3 145.55 55.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.68 0.752 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.45 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -42.49 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' ND2' ' A' ' 40' ' ' ASN . . . -52.13 -47.75 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.21 -44.25 10.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.42 83.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.34 -57.5 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.71 -31.43 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -59.16 -22.06 60.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.08 -30.94 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.429 HG23 ' CD2' ' A' ' 13' ' ' LEU . 2.1 mt -71.48 -46.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.4 -60.5 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -49.05 -33.4 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -68.41 -37.64 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.63 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.7 t80 -76.46 -47.27 23.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -38.9 -50.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.2 m -66.85 -49.54 65.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.7 mt -77.36 6.15 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.52 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 21.9 t -94.28 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.46 161.27 28.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -71.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -49.33 -45.6 45.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -58.02 -56.42 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -61.43 -29.97 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -69.39 -48.49 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -67.06 -49.68 64.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 39.2 t80 -55.57 -16.36 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -98.81 -43.85 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.9 t -74.01 -17.35 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.8 mt -111.12 -51.18 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.39 -147.26 17.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -111.44 -38.59 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -79.04 -25.43 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -93.05 -63.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 77' ' ' THR . 21.7 t80 -36.31 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.5 ' N ' ' CD1' ' A' ' 76' ' ' PHE . 4.9 t -98.12 51.24 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 p -54.33 141.62 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.65 -151.16 19.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -169.64 129.44 1.0 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.57 169.71 25.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -122.44 85.37 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.6 p -123.4 88.49 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.46 145.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.4 13.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.0 p -82.72 41.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m 48.95 41.14 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -138.17 -178.81 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -158.77 171.19 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.43 92.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -40.51 -50.82 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -84.26 -49.54 8.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.47 -114.73 5.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.5 m -115.31 162.99 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.648 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 18.6 m-85 -55.3 -58.01 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.489 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 34.9 m-85 -41.65 -31.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.19 -47.13 15.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.81 -45.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 31' ' ' LEU . 90.1 mt -76.85 -33.58 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.61 35.28 7.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 ' CB ' ' A' ' 27' ' ' ALA . 2.4 m -120.81 156.17 56.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HG2' ' CA ' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.77 159.71 52.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 73.1 mmtt -60.42 -25.63 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -110.99 24.39 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' CA ' ' HG2' ' A' ' 16' ' ' PRO . . . -60.39 138.78 57.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.454 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 46.8 t -84.13 157.79 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -43.56 -40.54 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.34 -45.62 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.454 ' NE2' ' HB3' ' A' ' 20' ' ' SER . 1.3 mp0 -65.03 -39.8 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.0 mt -67.94 -52.56 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -57.0 -44.97 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -68.49 -51.62 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' CB ' HG12 ' A' ' 15' ' ' VAL . . . -54.71 -39.46 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 53' ' ' ALA . 13.3 t80 -75.75 -51.74 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -42.8 -60.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 18.9 ptpt -51.55 -44.78 62.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 34' ' ' LYS . 55.7 mt -59.97 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.34 -37.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -68.02 -43.96 77.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.4 ttmm -64.47 -37.76 88.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.481 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 84.2 m-85 -109.86 22.86 15.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.1 t-80 -65.67 137.65 96.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.66 -51.83 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.27 -41.51 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.464 ' ND2' ' HB1' ' A' ' 45' ' ' ALA . 7.1 t-20 -85.38 125.05 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -91.86 16.31 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 94.5 p -101.42 147.07 33.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -45.96 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -36.68 72.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' HB1' ' ND2' ' A' ' 40' ' ' ASN . . . -45.99 -56.53 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.43 -40.93 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -52.6 59.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 20.6 mmmt -47.68 -53.98 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.69 -32.21 59.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.93 -21.59 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 52' ' ' ILE . 1.4 pt-20 -97.04 -31.5 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 ' N ' ' HG2' ' A' ' 51' ' ' GLU . 5.3 mt -70.64 -49.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -54.32 -59.89 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -48.52 -40.9 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.505 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 30.0 t80 -67.93 -53.41 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' TYR . 42.6 mt-10 -34.43 -48.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.433 HG22 ' CB ' ' A' ' 68' ' ' TYR . 14.3 m -68.15 -41.56 81.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 68' ' ' TYR . 22.2 mt -91.01 14.26 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 28.1 t -94.47 -51.16 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.99 -174.94 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.34 -66.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -55.42 -45.84 76.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -55.36 -53.45 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.42 -35.6 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -74.03 -45.82 47.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.648 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 48.9 t80 -63.62 -12.8 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.29 -35.24 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 t -79.8 -23.34 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.7 mt -103.77 -48.3 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.69 167.87 13.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -65.76 -49.05 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -75.55 -28.35 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -78.85 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -47.51 -40.23 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 p -82.76 48.39 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.4 m -126.53 38.38 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.83 171.33 13.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -142.07 160.84 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.28 -109.89 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.31 112.87 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -90.72 142.83 27.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 107.73 95.79 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -35.42 12.61 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.0 t -140.96 105.35 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 m -75.01 96.81 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t 60.15 42.59 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -79.14 163.32 25.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.85 49.77 0.82 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -66.93 163.7 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.3 p -150.0 128.11 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.02 -80.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.511 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 14.8 m -95.96 156.15 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 8.3 m-30 -46.5 -62.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CG ' ' HE3' ' A' ' 17' ' ' LYS . 28.8 m-85 -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -46.71 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.81 -38.24 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CD2' HG23 ' A' ' 52' ' ' ILE . 93.8 mt -89.97 -37.77 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.15 28.24 8.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.01 153.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.081 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 159.13 54.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.622 2.215 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HE3' ' CG ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.63 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -101.71 18.83 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.23 138.51 44.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 t -85.07 147.82 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.4 tt0 -35.54 -42.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -60.79 -45.9 92.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' SER . 46.3 mt-30 -65.11 -44.49 88.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.8 mt -56.46 -57.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.461 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 8.5 ptmt -64.32 -33.08 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.41 -52.2 62.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.71 85.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.583 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 19.8 t80 -59.33 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 7.8 m-70 -36.86 -66.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -43.97 -51.65 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.9 mt -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.77 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' LEU . 13.2 mmt -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 7.4 tmtm? -64.09 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.567 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 72.5 m-85 -104.03 11.4 35.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' ALA . 9.7 t-80 -54.45 129.1 61.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.6 Cg_endo -69.8 -8.8 24.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -97.0 -25.0 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -49.41 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.457 ' HB3' ' CB ' ' A' ' 45' ' ' ALA . 4.9 m-20 -73.26 106.73 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -82.58 49.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -135.48 152.63 76.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.802 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.97 9.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -40.43 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -47.67 -54.44 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -46.97 -51.1 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 1.8 mmpt? -46.93 -58.96 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -51.32 -36.87 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -53.25 -25.41 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -97.25 -28.19 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.453 HG23 ' CD2' ' A' ' 13' ' ' LEU . 5.5 mt -71.45 -43.87 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.29 -67.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -38.86 -47.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.18 -40.35 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.583 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 58.4 t80 -74.6 -47.59 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.56 -49.23 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.3 m -64.53 -55.1 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 71.7 mt -69.78 -8.44 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 2.5 m -82.48 -55.2 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.68 175.59 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -70.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.18 -34.27 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -70.05 -53.47 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -64.43 -29.67 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -77.17 -59.37 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.75 -31.33 26.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 32.8 t80 -75.47 -22.77 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.31 -26.28 15.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.45 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 5.9 t -85.02 -37.79 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.45 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 11.5 mt -91.5 -40.81 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.55 -171.31 14.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.511 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 57.6 t60 -86.33 -42.59 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -82.6 -32.67 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.39 -58.72 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -54.31 -27.73 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.7 p -90.26 51.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -106.36 83.3 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.03 -64.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -116.06 83.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.01 -161.75 9.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -158.71 154.46 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -90.54 -49.73 6.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.55 79.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 162.4 42.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.1 t -149.83 142.68 24.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -87.9 140.95 28.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -82.85 145.16 29.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -45.7 139.38 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.23 54.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.68 155.86 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.9 p -80.07 -46.61 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.04 -103.37 1.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 m -124.02 155.61 37.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ILE . 14.9 m-30 -50.45 -61.25 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.509 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.76 -36.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.22 -43.04 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.2 mt -61.89 -47.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' O ' ' CD1' ' A' ' 31' ' ' LEU . 61.6 mt -75.6 -36.08 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.44 33.23 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 m -116.87 154.19 49.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.72 156.89 62.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 32.1 mmtm -56.2 -33.92 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -101.12 22.44 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.98 141.52 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 57.6 m -91.4 148.79 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' SER . 21.0 tt0 -36.11 -34.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.2 ttm180 -66.71 -49.76 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 51.3 mt-30 -65.08 -38.36 90.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.412 HG23 ' CD2' ' A' ' 56' ' ' TYR . 23.4 mt -59.35 -56.6 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.3 OUTLIER -67.07 -32.33 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -65.9 -49.63 67.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.06 86.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.461 ' CD1' HG21 ' A' ' 52' ' ' ILE . 5.1 t80 -62.42 -64.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 9.2 m-70 -36.24 -58.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -52.72 -46.75 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' LYS . 45.7 mt -59.19 -60.4 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -34.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.1 mmt -68.88 -46.05 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.0 tttp -67.12 -27.89 67.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.502 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 97.3 m-85 -118.15 24.04 11.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.6 t-80 -66.87 122.63 83.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.7 -0.42 6.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.2 m-20 -105.28 -33.24 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -96.51 -39.39 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 17.9 t-20 -76.12 115.75 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.49 42.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 142.27 44.45 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.83 29.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.66 -35.1 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -55.27 -40.64 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.41 -41.84 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.6 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 26.9 mmmt -50.1 -55.35 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.5 -37.57 57.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -55.83 -22.06 22.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.69 -31.8 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 28' ' ' PHE . 4.9 mt -67.29 -44.47 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.99 -67.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -40.29 -40.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 9' ' ' TYR . . . -60.89 -45.2 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLU . 41.9 t80 -69.27 -58.13 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 63.1 mm-40 -34.49 -49.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 m -66.87 -49.36 65.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD22 ' CD2' ' A' ' 68' ' ' TYR . 60.2 mt -78.1 6.36 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' TYR . 33.0 t -94.87 -47.97 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.1 157.11 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.12 -66.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -51.74 -45.83 63.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -55.65 -57.54 11.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -62.32 -33.05 73.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -61.24 -37.61 83.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -79.75 -44.33 20.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.438 ' CD2' HD22 ' A' ' 59' ' ' LEU . 60.4 t80 -61.96 -19.25 62.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.66 -40.09 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.7 t -77.48 -23.34 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -104.11 -52.01 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.04 -147.76 16.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -113.1 -24.01 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -96.51 -25.96 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.04 -49.77 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -52.07 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.4 t -105.4 71.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -92.86 164.03 13.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.46 -39.31 2.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -68.35 -57.78 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.7 -135.25 15.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -157.09 149.35 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 m -69.17 -65.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.81 83.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.59 3.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -81.92 145.52 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -131.47 156.24 45.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 73' ' ' HIS . 3.7 p -87.22 142.16 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.47 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.5 m-30 -45.17 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.581 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 28.5 m-85 -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -77.07 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.652 HG21 ' HG3' ' A' ' 51' ' ' GLU . 76.1 mt -57.73 -37.87 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.672 HD12 HD12 ' A' ' 59' ' ' LEU . 95.5 mt -86.68 -35.99 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.81 32.26 9.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 24' ' ' ILE . 2.5 m -114.82 152.54 46.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.85 163.78 37.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 38.5 mmtm -65.11 -24.07 67.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.35 18.53 20.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.73 133.04 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.0 t -73.72 148.42 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -40.42 -44.13 1.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' NH1' ' HG3' ' A' ' 23' ' ' GLN . 5.2 ptm180 -64.05 -36.23 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' SER . 49.9 mt-30 -69.09 -46.18 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.597 ' HA ' HG11 ' A' ' 15' ' ' VAL . 43.7 mt -55.83 -62.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 14.6 ptpt -56.48 -37.72 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -60.41 -51.79 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.2 t80 -51.7 -63.54 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' PHE . 3.9 m80 -34.4 -63.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -46.02 -49.34 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 13' ' ' LEU . 60.6 mt -57.93 -63.53 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -36.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmt -67.0 -44.32 80.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.4 tttp -67.58 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -117.13 16.14 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.9 t-80 -71.08 138.75 84.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -26.8 27.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 0.8 OUTLIER -71.62 -30.88 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -102.97 -57.3 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.612 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 4.7 t-20 -58.79 129.77 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -88.64 -44.92 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -46.88 143.77 4.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.701 0.762 . . . . 0.0 110.814 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.78 24.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -36.12 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.612 ' HB2' ' CG ' ' A' ' 40' ' ' ASN . . . -44.89 -58.45 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -45.67 -47.01 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -51.35 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -48.83 -52.17 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.96 -26.5 36.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.67 -19.33 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HG3' HG21 ' A' ' 12' ' ' ILE . 4.8 pt-20 -99.94 -31.63 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.8 mt -68.65 -45.71 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.68 -66.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -42.2 -38.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -63.82 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 53.3 t80 -70.7 -54.61 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.2 mt-10 -34.69 -47.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 m -68.02 -49.36 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.672 HD12 HD12 ' A' ' 13' ' ' LEU . 47.3 mt -81.58 12.54 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' TYR . 17.7 p -95.15 -47.69 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.1 -175.0 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 -66.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -57.26 -44.79 84.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -54.14 -48.08 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.06 -31.95 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -64.08 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.641 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.2 mt-10 -73.1 -47.62 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 27.6 t80 -62.16 -8.56 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.4 -27.45 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 67' ' ' GLU . 4.2 t -91.07 -22.31 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.0 mt -104.12 -47.63 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.24 -178.73 17.21 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.408 ' CD2' ' HA ' ' A' ' 8' ' ' SER . 44.3 t-80 -69.7 -66.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 p -67.56 -26.6 66.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -72.0 -56.58 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 9.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -106.76 160.28 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.365 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ASP . 14.3 m-30 -56.69 -59.71 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -39.06 -28.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -85.53 -48.43 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.81 -41.05 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.777 ' O ' HD11 ' A' ' 31' ' ' LEU . 69.8 mt -82.22 -44.35 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.66 37.3 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.49 151.79 73.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 165.77 29.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -66.28 -29.78 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.5 p -93.88 9.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' O ' ' NH2' ' A' ' 65' ' ' ARG . . . -51.27 136.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -90.84 160.84 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.18 -55.47 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 23' ' ' GLN . 10.3 ptm180 -52.04 -39.75 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.0 mm100 -67.67 -49.44 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 59' ' ' LEU . 21.0 mt -60.69 -40.48 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -64.5 -53.35 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -59.35 -45.51 91.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.85 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.75 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.2 t80 -66.62 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -38.77 -63.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -48.06 -48.47 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.777 HD11 ' O ' ' A' ' 13' ' ' LEU . 35.5 mt -56.66 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -37.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.9 mmt -65.71 -49.08 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.6 tmtm? -63.92 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.696 ' CD2' HD11 ' A' ' 52' ' ' ILE . 80.7 m-85 -110.08 16.07 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 14.2 t-80 -65.75 135.09 95.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -14.49 36.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.307 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.07 -47.62 8.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -80.86 -43.05 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -74.58 118.33 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -94.07 43.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -132.44 152.38 79.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.44 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -54.27 -41.81 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.51 -53.52 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.16 -46.26 34.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -53.36 49.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 4.3 mmmm -42.83 -55.11 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.52 -38.97 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -55.19 -23.13 20.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.75 -26.85 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.75 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.6 mt -71.4 -43.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.95 -64.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -44.38 -36.96 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.93 -39.11 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.676 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 31.2 t80 -76.75 -50.02 14.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -39.64 -46.41 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 m -69.8 -45.94 66.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.556 HD12 HD12 ' A' ' 13' ' ' LEU . 36.2 mt -85.51 13.46 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.553 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 29.1 t -97.91 -46.3 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -83.46 -174.98 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.71 -65.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.89 -46.79 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -50.57 -47.2 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 21.0 ttt180 -72.4 -37.98 68.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -59.76 -42.56 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.677 ' HA ' HG22 ' A' ' 70' ' ' THR . 10.2 mt-10 -72.66 -35.79 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.454 ' CE2' HD21 ' A' ' 59' ' ' LEU . 50.6 t80 -66.73 -24.37 66.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -94.86 -43.71 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.677 HG22 ' HA ' ' A' ' 67' ' ' GLU . 2.3 t -68.77 -27.88 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' A' ' 70' ' ' THR . 24.0 mt -101.33 -51.13 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.28 -136.29 10.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 67.2 t60 -124.74 -38.41 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 t -73.68 -18.19 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.02 -67.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.6 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -98.84 145.94 26.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.528 ' HE2' HG21 ' A' ' 58' ' ' THR . 16.8 m-30 -47.84 -67.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CD2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m-85 -36.49 -38.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -46.13 45.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' TYR . 70.2 mt -61.76 -35.99 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.735 HD12 HD12 ' A' ' 59' ' ' LEU . 88.9 mt -87.73 -36.54 17.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.51 34.49 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 m -116.57 154.72 49.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.75 161.42 45.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -62.23 -22.93 66.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -109.32 18.14 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.555 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -55.29 130.21 41.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.1 m -78.5 147.41 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' SER . 32.1 tt0 -35.3 -50.21 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 29.6 ttp180 -54.74 -43.32 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' SER . 35.6 mt-30 -65.87 -48.02 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 56' ' ' TYR . 26.6 mt -51.38 -60.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.3 pttt -62.3 -35.38 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 20.5 mmtm -60.69 -44.85 96.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.53 61.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.768 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.1 t80 -60.18 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -40.78 -59.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -54.55 -46.99 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 13' ' ' LEU . 28.5 mt -55.92 -62.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.28 -38.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mmt -67.21 -40.21 86.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' LEU . 23.2 ttmt -68.79 -30.81 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 92.3 m-85 -113.91 20.11 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 10.9 t-80 -68.61 136.62 90.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -80.64 -46.9 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -78.99 -47.24 16.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.19 -40.13 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm 50.46 49.25 21.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -135.79 151.79 74.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -44.99 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 -37.55 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.35 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -47.5 -46.3 27.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.08 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -48.68 -52.89 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.83 -35.35 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -57.76 -23.07 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.26 -23.2 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.768 HG22 ' CD1' ' A' ' 28' ' ' PHE . 8.5 mt -74.89 -48.62 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -59.79 -66.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.42 -41.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.63 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 81.8 t80 -64.64 -53.98 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' TYR . 79.9 mm-40 -37.97 -44.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.528 HG21 ' HE2' ' A' ' 9' ' ' TYR . 57.4 m -72.65 -41.54 65.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.735 HD12 HD12 ' A' ' 13' ' ' LEU . 77.7 mt -82.92 0.2 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' TYR . 52.4 p -89.81 -48.88 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.17 157.92 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.18 -70.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.13 -49.1 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -51.84 -54.01 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -71.8 -38.04 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.5 mt-10 -77.48 -42.18 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 59' ' ' LEU . 41.6 t80 -59.81 -25.86 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.39 -47.53 7.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.5 t -67.78 -24.95 65.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' HG ' HG23 ' A' ' 70' ' ' THR . 56.9 mt -106.54 -49.53 3.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -140.97 15.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.404 ' NE2' ' O ' ' A' ' 7' ' ' GLY . 84.0 t60 -114.53 -52.72 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -62.37 -36.7 83.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.05 -63.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -97.95 155.14 17.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 16.0 m-30 -50.55 -52.7 36.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -41.16 -30.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.0 -48.17 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.39 -46.19 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 59' ' ' LEU . 79.1 mt -76.98 -40.33 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.27 35.92 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.84 152.41 62.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 159.75 52.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.412 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -59.38 -30.23 68.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -105.72 22.36 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.24 141.32 41.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLN . 73.0 m -80.87 148.1 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -39.76 -48.33 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.15 -38.93 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' SER . 22.3 mt-30 -64.55 -42.24 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.561 HG21 ' O ' ' A' ' 59' ' ' LEU . 48.4 mt -63.13 -60.17 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -40.06 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -67.3 -48.9 66.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.442 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -60.38 -38.88 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.1 t80 -71.84 -58.82 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -44.38 -62.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 10.8 ptmt -48.75 -49.65 37.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.732 HD11 ' O ' ' A' ' 13' ' ' LEU . 26.5 mt -56.21 -65.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -33.91 -37.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.1 mmt -66.06 -48.28 71.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -63.79 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.525 ' CD2' HD11 ' A' ' 52' ' ' ILE . 88.7 m-85 -111.11 19.12 18.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' ALA . 15.1 t-80 -68.02 134.57 91.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 -29.29 24.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -76.69 -51.7 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -74.59 -45.25 46.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 11.9 t-20 -83.1 139.28 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -117.53 73.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -150.34 149.85 27.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.702 0.763 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -27.22 27.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -32.83 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.71 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.87 -50.1 36.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.98 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -45.36 -56.4 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 31.6 t80 -53.06 -40.57 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -53.28 -22.07 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.63 -26.63 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.666 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.9 mt -75.62 -44.6 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.96 -65.54 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -43.88 -39.24 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.74 -42.09 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.695 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 25.8 t80 -70.31 -51.05 33.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 27.9 mt-10 -34.46 -49.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.4 m -66.77 -50.09 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 13' ' ' LEU . 21.4 mt -82.7 14.94 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' TYR . 11.3 t -94.18 -53.6 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -79.26 177.5 8.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.77 -67.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -53.59 -48.87 68.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -51.42 -51.79 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 17' ' ' LYS . 2.0 tmt_? -70.78 -26.8 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -71.0 -38.29 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.722 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.9 mt-10 -77.07 -37.28 54.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -62.6 -20.41 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.66 -34.62 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.4 t -82.92 -21.28 34.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 70' ' ' THR . 30.2 mt -108.78 -47.2 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.04 -141.17 16.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -123.74 -20.5 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.9 p -84.8 -25.18 28.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.14 -60.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 46.3 m -98.46 154.55 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 17.5 m-85 -43.24 -57.82 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CD2' ' CD ' ' A' ' 17' ' ' LYS . 28.0 m-85 -34.4 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.8 t70 -78.1 -50.49 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.487 HG21 ' O ' ' A' ' 51' ' ' GLU . 42.7 mt -57.2 -36.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 59' ' ' LEU . 94.8 mt -87.25 -34.03 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.18 30.24 13.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 24' ' ' ILE . 2.7 m -115.24 155.32 47.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.8 166.47 27.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.618 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 29.5 mmtp -67.03 -21.87 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -109.96 17.6 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -55.0 132.37 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' GLN . 22.6 t -78.39 150.0 33.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.06 -44.61 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.5 tpt180 -64.2 -35.29 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.1 mt-30 -71.19 -43.81 66.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.502 ' HA ' HG11 ' A' ' 15' ' ' VAL . 38.5 mt -59.58 -63.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 15.0 ptmt -56.17 -30.77 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 13.4 mmtm -67.69 -51.54 48.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.73 87.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.792 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.2 t80 -64.08 -58.35 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -40.13 -62.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -50.61 -47.42 58.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 13' ' ' LEU . 39.6 mt -56.44 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.27 -37.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -66.35 -42.74 87.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.4 ttmm -66.34 -34.85 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -110.62 21.03 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.503 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 15.3 t-80 -66.48 139.47 96.14 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.75 -43.25 2.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.7 -54.64 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -66.79 -53.15 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 7.6 t-20 -71.77 124.03 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -97.4 38.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -125.52 152.37 71.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -46.52 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.412 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -47.45 -54.75 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -47.75 -43.94 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.77 37.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -45.93 -50.31 14.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.75 -28.49 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.36 -17.06 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 12' ' ' ILE . 18.3 mt-10 -101.62 -24.51 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.792 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -76.8 -46.03 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.17 -62.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -45.9 -36.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.31 -41.92 89.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.67 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 80.9 t80 -74.49 -52.17 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 80.8 mm-40 -34.44 -39.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.2 m -77.93 -51.83 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 13' ' ' LEU . 41.3 mt -77.18 4.88 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 97.3 p -93.86 -52.6 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.18 159.72 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.81 -71.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -49.52 -45.58 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -57.71 -56.32 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -62.8 -29.51 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -66.87 -50.63 61.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' HG22 ' A' ' 70' ' ' THR . 14.5 mt-10 -65.32 -38.12 89.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 45.1 t80 -66.73 -12.6 59.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.8 -39.4 7.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.8 t -77.23 -20.19 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HG ' HG23 ' A' ' 70' ' ' THR . 11.5 mt -107.78 -45.91 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.8 -141.7 15.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 58.5 t60 -115.63 -47.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -71.54 -31.87 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.05 -51.49 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.3 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.903 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.45 141.33 36.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.601 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 15.2 m-30 -41.72 -62.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HD1' HG23 ' A' ' 15' ' ' VAL . 19.8 m-85 -34.5 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' TYR . 6.5 t70 -78.98 -49.52 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.6 mt -59.69 -40.05 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.79 ' O ' HD11 ' A' ' 31' ' ' LEU . 75.5 mt -80.72 -39.75 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.91 37.42 4.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' HD1' ' A' ' 10' ' ' TYR . 3.5 m -122.77 155.29 63.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.25 46.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 48.8 mmtt -61.95 -26.89 68.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -100.18 13.82 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.85 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 m -83.03 152.42 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' SER . 19.3 tt0 -37.51 -50.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 13.2 ptp180 -57.67 -41.52 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 34.1 mt-30 -63.38 -45.33 91.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.05 -45.76 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.68 -57.68 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 1.1 mptm? -56.25 -42.91 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.72 94.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.797 ' CD1' HG22 ' A' ' 52' ' ' ILE . 50.9 t80 -71.59 -57.06 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -42.51 -66.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -46.45 -50.47 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.79 HD11 ' O ' ' A' ' 13' ' ' LEU . 48.3 mt -53.45 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.09 -35.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.67 -41.49 75.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 18.1 ttmt -67.95 -29.12 68.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.5 m-85 -117.1 21.29 13.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ALA . 12.6 t-80 -67.02 137.09 94.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.7 -25.41 28.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -83.6 -50.21 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -70.89 -42.71 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -83.29 134.58 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -101.59 30.19 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.86 31.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.08 15.3 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.89 -35.91 77.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.51 -50.93 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -48.12 -46.9 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.08 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -46.06 -56.33 5.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.52 -41.51 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 13.6 tpt85 -53.41 -25.79 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -93.37 -24.38 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.7 mt -74.91 -44.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -62.96 -64.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -39.7 -40.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -68.19 -39.42 82.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 52.3 t80 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -37.05 -42.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.462 HG21 ' HE2' ' A' ' 9' ' ' TYR . 30.9 m -73.57 -42.91 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 13' ' ' LEU . 33.3 mt -90.35 13.77 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 9.8 p -95.27 -50.03 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.76 -176.54 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.64 -67.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.07 -47.05 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -52.38 -49.63 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.27 -30.53 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -68.21 -26.13 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HA ' HG22 ' A' ' 70' ' ' THR . 23.2 mt-10 -86.48 -50.39 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 22.0 t80 -54.89 -14.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.27 -48.66 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.461 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 1.3 t -69.47 -19.84 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 18.4 mt -113.3 -42.37 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 87.1 147.09 11.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 35.1 t-80 -48.99 -34.74 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -60.01 -32.65 71.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -108.58 -61.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' ALA . 33.1 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -103.99 166.55 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -61.16 -57.66 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 17' ' ' LYS . 28.0 m-85 -40.87 -28.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.09 -46.45 10.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 51' ' ' GLU . 96.3 mt -60.1 -45.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.859 HD12 HD12 ' A' ' 59' ' ' LEU . 86.6 mt -78.72 -35.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.91 33.11 7.16 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.47 154.05 59.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.509 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 mptt -65.48 -27.16 68.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -105.24 18.23 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -54.59 138.78 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.2 t -83.87 148.13 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 31.2 tt0 -35.7 -50.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -55.84 -43.65 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 20' ' ' SER . 17.3 mt-30 -63.39 -46.86 84.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.53 -51.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -61.05 -46.74 89.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.39 -41.24 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.77 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.733 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -60.98 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' PHE . 5.3 m170 -36.17 -62.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -46.35 -48.31 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 13' ' ' LEU . 44.2 mt -59.88 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.48 -35.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.032 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.6 mmt -68.68 -43.11 76.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -65.66 -34.02 77.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.3 m-85 -113.7 22.86 13.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.6 t-80 -64.88 126.69 91.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.79 -1.01 7.77 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.8 -40.85 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -94.43 -36.91 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -76.4 106.96 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -86.17 45.71 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.2 m -133.57 148.52 69.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -41.47 4.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.03 -37.03 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.39 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.11 -50.56 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -60.46 -55.11 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CB ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 mmpt? -40.21 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.2 -35.89 60.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.22 -23.56 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -94.44 -29.01 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.642 HG22 ' CD1' ' A' ' 28' ' ' PHE . 1.4 mt -76.12 -49.03 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.93 -62.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.25 -40.59 16.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.733 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 26.5 t80 -74.49 -52.82 10.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 10.0 mm-40 -34.44 -52.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.566 HG21 ' HB2' ' A' ' 68' ' ' TYR . 21.6 m -64.13 -51.29 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.859 HD12 HD12 ' A' ' 13' ' ' LEU . 41.6 mt -76.19 3.75 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 22.5 t -93.5 -55.9 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.72 153.53 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -70.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -49.97 -46.13 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -55.76 -57.39 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -62.46 -31.28 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -65.48 -35.85 82.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.602 ' HA ' HG22 ' A' ' 70' ' ' THR . 14.0 mt-10 -78.71 -47.91 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' HB2' HG21 ' A' ' 58' ' ' THR . 57.8 t80 -57.99 -21.88 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.11 -39.93 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.9 t -78.74 -17.62 55.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.19 -50.48 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 124.06 -142.0 13.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 63.7 t60 -118.16 -31.25 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t -86.2 -24.61 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.78 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -96.67 153.74 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 16.2 m-30 -44.66 -64.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.564 ' HD1' HG23 ' A' ' 15' ' ' VAL . 15.8 m-85 -35.68 -38.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -42.73 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' TYR . 54.9 mt -62.5 -46.92 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' O ' HD11 ' A' ' 31' ' ' LEU . 73.3 mt -75.5 -42.52 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 35.17 3.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG23 ' HD1' ' A' ' 10' ' ' TYR . 2.5 m -125.11 152.39 70.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.78 160.58 49.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 10.6 mptt -60.12 -27.79 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -104.34 20.73 17.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.629 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -64.05 138.93 58.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' GLU . 31.6 t -88.29 149.28 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -33.91 -60.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -40.11 -44.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' SER . 45.0 mt-30 -68.3 -38.87 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mt -65.72 -62.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 21' ' ' GLU . 39.7 mttt -48.46 -45.51 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -67.53 -54.51 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.32 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.718 ' CD1' HG22 ' A' ' 52' ' ' ILE . 12.8 t80 -79.3 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -38.61 -56.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -55.79 -40.0 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD11 ' O ' ' A' ' 13' ' ' LEU . 34.6 mt -65.89 -58.45 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.45 -38.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.82 -33.94 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttpt -71.75 -35.1 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -113.11 17.71 18.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' ALA . 8.8 t-80 -59.06 135.43 87.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -0.87 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -111.54 -20.26 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -99.87 -37.72 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 45' ' ' ALA . 1.3 m120 -84.12 122.32 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -90.21 35.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -130.41 153.85 81.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -53.52 -37.37 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -45.58 -57.58 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -46.16 -46.35 17.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.35 82.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -48.64 -56.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.31 -35.69 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -53.67 -22.18 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.59 -26.06 14.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.718 HG22 ' CD1' ' A' ' 28' ' ' PHE . 7.1 mt -75.64 -47.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -58.61 -63.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -46.79 -34.42 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 56.2 t80 -77.07 -52.74 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' TYR . 72.5 mm-40 -34.62 -44.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.7 m -74.3 -48.85 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 13' ' ' LEU . 37.3 mt -80.42 10.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 85.5 p -99.29 -45.72 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.88 171.15 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.35 -69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -52.44 -42.32 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -60.87 -55.93 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -62.94 -31.08 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -64.21 -40.81 96.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 70' ' ' THR . 11.4 mt-10 -72.58 -49.9 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 54.2 t80 -56.42 -28.8 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -84.54 -43.68 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.4 t -74.34 -19.26 60.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.2 mt -109.6 -52.58 2.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.38 -148.03 17.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.456 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 81.6 t60 -102.77 -60.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -33.61 73.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.82 -51.97 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 8.7 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.62 ' HA ' ' CD2' ' A' ' 73' ' ' HIS . 66.9 m -100.36 150.1 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.479 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 m-30 -45.4 -62.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.92 -32.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -85.86 -46.03 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -55.8 -38.7 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 59' ' ' LEU . 96.2 mt -90.73 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.08 31.2 10.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.28 152.37 49.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.71 168.46 21.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -66.86 -30.9 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -100.06 15.78 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -53.36 123.77 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLN . 10.4 t -70.27 148.28 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' SER . 38.5 tt0 -37.12 -45.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.05 -41.49 92.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' SER . 41.5 mt-30 -63.38 -44.15 95.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 59' ' ' LEU . 44.0 mt -63.65 -54.97 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -53.7 -46.79 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 18.1 mttm -63.65 -51.06 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.1 t80 -68.61 -55.37 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -41.1 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -45.99 -51.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.634 HD11 ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -51.82 -63.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.02 -34.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.44 -39.95 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 30.5 tttp -68.96 -31.69 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.0 m-85 -116.04 15.72 16.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -53.76 124.97 45.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 0.48 5.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.91 -40.36 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -89.25 -39.86 13.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -70.31 131.96 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 41.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -129.46 151.09 77.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.684 0.754 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.93 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.29 -54.84 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -47.29 -40.41 16.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.32 -53.27 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -46.93 -54.62 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 41.6 t80 -55.7 -32.11 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -60.67 -21.67 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.86 -27.13 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.789 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.3 mt -71.03 -42.46 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -65.59 -62.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -42.62 -44.95 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -62.22 -43.73 98.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.732 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.5 t80 -67.17 -55.14 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' TYR . 19.1 mt-10 -35.55 -46.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.7 m -68.63 -50.04 54.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 13' ' ' LEU . 46.6 mt -76.44 2.47 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.9 t -90.71 -49.93 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.1 167.32 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.01 -68.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.38 -45.14 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -57.22 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -64.45 -29.44 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -67.13 -42.72 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.1 mt-10 -69.31 -50.18 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 54.8 t80 -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.31 -39.44 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -80.36 -17.43 51.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 27.3 mt -111.54 -48.21 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.62 -163.37 12.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 8' ' ' SER . 66.2 t-80 -98.3 1.75 47.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -112.45 -29.22 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . . . -94.5 -48.75 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -83.35 153.85 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.639 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 18.4 m-85 -41.62 -61.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 46.5 m-85 -36.21 -34.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 5.5 t70 -79.49 -48.18 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' TYR . 52.1 mt -58.52 -41.95 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' O ' HD11 ' A' ' 31' ' ' LEU . 77.8 mt -82.07 -34.02 29.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.17 8.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.422 HG11 ' HA ' ' A' ' 24' ' ' ILE . 3.0 m -118.3 154.58 52.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 54.3 Cg_endo -69.74 162.9 40.28 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.709 2.272 . . . . 0.0 112.383 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 35.4 mmtm -63.97 -21.02 66.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -110.64 15.69 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -53.3 125.32 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.3 m -71.85 148.91 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.9 tt0 -37.79 -48.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.07 -43.14 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 57.6 mt-30 -62.99 -48.39 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HA ' HG11 ' A' ' 15' ' ' VAL . 46.0 mt -56.52 -52.61 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -55.12 -47.67 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -59.71 -51.77 68.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.64 -49.38 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.668 ' CD1' HG22 ' A' ' 52' ' ' ILE . 16.9 t80 -62.01 -52.57 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -45.49 -68.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 1.3 ptpm? -44.9 -47.69 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -56.42 -64.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.41 -35.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mtt -69.3 -44.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttmm -64.84 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 98.5 m-85 -120.39 25.64 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' ALA . 3.4 t-80 -64.07 124.1 84.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.76 1.2 4.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 2.0 m-20 -104.92 -34.75 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -71.07 131.83 44.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -104.17 42.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m -137.74 149.14 63.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.689 0.757 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -48.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -50.34 -46.55 55.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.85 -50.75 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -47.91 -40.39 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.19 63.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HE3' ' CE1' ' A' ' 35' ' ' TYR . 2.9 mmmp? -50.99 -54.99 19.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.8 -29.14 53.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -62.02 -20.8 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -98.17 -22.71 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.668 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.4 mt -78.95 -50.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.58 -62.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -49.4 -39.82 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.64 -33.54 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 44.1 t80 -79.86 -54.08 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -40.05 -36.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.462 HG21 ' HE2' ' A' ' 9' ' ' TYR . 13.3 m -76.5 -41.26 47.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 13' ' ' LEU . 58.6 mt -92.45 12.82 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 4.0 p -100.31 -38.14 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.29 -175.04 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 -66.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 0.6 OUTLIER -57.01 -43.88 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -54.75 -51.02 66.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 8.5 ttt180 -69.81 -30.98 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -65.65 -35.3 80.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.709 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.3 mt-10 -80.11 -45.49 18.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.639 ' CE1' ' CE2' ' A' ' 9' ' ' TYR . 77.3 t80 -60.92 -21.32 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.69 -46.15 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.709 HG22 ' HA ' ' A' ' 67' ' ' GLU . 2.7 t -65.7 -34.24 77.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HG ' HG23 ' A' ' 70' ' ' THR . 28.7 mt -95.02 -39.34 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 90.29 139.63 7.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -42.09 -45.77 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -51.36 -37.97 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -100.4 -65.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' ALA . 66.1 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 m -105.55 153.14 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.6 m-85 -40.59 -61.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' TYR . 25.6 m-85 -34.98 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 10.8 t0 -79.7 -52.34 8.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.11 -42.41 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.838 ' O ' HD11 ' A' ' 31' ' ' LEU . 87.6 mt -81.13 -39.15 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 29.26 8.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.59 153.23 47.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.714 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.506 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.71 162.04 43.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -28.27 69.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -102.84 17.18 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -55.47 132.29 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.1 m -78.22 149.87 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.7 tt0 -35.85 -45.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -60.6 -44.12 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' SER . 39.1 mt-30 -60.74 -42.25 96.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -67.36 -50.61 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -61.92 -35.25 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.04 -49.73 22.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.15 89.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.757 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.3 t80 -64.03 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' PHE . 4.9 m170 -35.45 -59.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -51.95 -46.79 64.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 13' ' ' LEU . 55.8 mt -57.71 -57.15 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -39.8 -37.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.2 mmt -72.91 -36.21 67.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.5 ttpt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 98.1 m-85 -122.41 24.72 9.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.4 t-80 -61.18 125.13 83.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.73 -5.31 15.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.745 2.297 . . . . 0.0 112.338 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.7 -46.12 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -80.9 -39.56 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.616 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 13.8 t-20 -77.62 137.94 38.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -113.29 51.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -138.83 154.55 72.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.2 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.18 -42.89 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -51.09 -49.75 60.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.41 -42.05 66.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.0 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 11.6 mmtm -57.04 -59.8 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 37.4 t80 -51.65 -39.32 57.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -53.72 -22.98 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -98.62 -30.45 12.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.757 HG22 ' CD1' ' A' ' 28' ' ' PHE . 4.1 mt -68.53 -44.18 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.08 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -43.74 -36.04 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.88 -41.85 86.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 46.5 t80 -71.8 -50.61 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' TYR . 52.7 mt-10 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.414 HG23 ' CZ ' ' A' ' 76' ' ' PHE . 12.8 m -68.31 -50.16 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 13' ' ' LEU . 19.0 mt -81.02 11.93 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' TYR . 30.5 t -92.27 -51.54 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -76.66 -175.0 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.49 -65.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.29 -41.02 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.13 -54.03 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.46 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -65.19 -45.27 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 70' ' ' THR . 11.5 mt-10 -70.78 -45.48 64.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 38.6 t80 -61.59 -10.24 7.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.24 -37.23 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -80.29 -21.17 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.4 mt -104.01 -48.24 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.4 -132.02 7.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -125.32 -51.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -70.93 -12.61 61.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -68.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 58' ' ' THR . 7.5 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.421 ' HA ' ' ND1' ' A' ' 73' ' ' HIS . 81.9 p -73.86 140.52 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 13.9 m-85 -41.25 -60.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 30.4 m-85 -38.54 -36.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -75.66 -49.86 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.35 -41.45 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.702 ' O ' HD11 ' A' ' 31' ' ' LEU . 89.7 mt -81.68 -43.06 19.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.39 34.25 4.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.593 HG11 ' HA ' ' A' ' 24' ' ' ILE . 4.1 m -117.35 154.3 50.29 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.619 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.73 158.75 55.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 36.6 mmtm -59.78 -26.23 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -108.26 18.37 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -53.48 137.04 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLN . 67.3 m -79.16 150.68 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -40.68 -35.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 12.3 ttm105 -73.4 -36.33 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.5 mt-30 -68.79 -35.74 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.593 ' HA ' HG11 ' A' ' 15' ' ' VAL . 20.9 mt -68.79 -58.18 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.63 -31.7 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 27.2 mmtt -68.55 -52.31 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.84 87.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.779 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.2 t80 -71.42 -53.38 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -40.66 -61.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 16.5 ptpt -52.67 -47.37 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 13' ' ' LEU . 68.7 mt -55.41 -64.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.17 -38.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.31 -49.63 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 25.0 tttm -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.1 m-85 -114.22 22.17 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.3 t-80 -67.17 124.87 90.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.2 Cg_endo -69.8 1.63 4.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 27.3 m-20 -103.44 -41.34 6.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -90.67 -35.8 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -78.9 117.78 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -90.82 49.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -136.1 142.29 39.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.08 17.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.77 -36.04 77.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.03 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.9 -36.63 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.09 -52.52 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -48.12 -52.56 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -54.09 -33.69 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.2 -22.15 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -97.28 -30.38 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.779 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -70.01 -46.84 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.32 -65.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -42.1 -43.87 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -58.47 -47.02 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 40.7 t80 -66.8 -47.29 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -39.46 -40.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.9 m -77.2 -49.45 15.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.613 HD12 HD12 ' A' ' 13' ' ' LEU . 37.8 mt -74.71 -1.36 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 82.6 p -86.25 -56.1 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.97 154.17 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.14 -70.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -50.38 -47.17 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -53.51 -56.06 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -67.34 -27.09 66.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -60.44 -45.68 92.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.568 ' HA ' HG22 ' A' ' 70' ' ' THR . 6.6 mt-10 -74.57 -44.09 52.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 84.0 t80 -60.55 -10.77 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.08 -45.02 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.3 t -73.59 -20.65 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -107.02 -42.01 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.3 -144.16 18.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.421 ' ND1' ' HA ' ' A' ' 8' ' ' SER . 78.6 t60 -110.19 -61.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -63.18 -29.51 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.22 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 m -99.46 163.88 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.8 m-85 -54.02 -59.23 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -42.27 -26.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.64 -40.59 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -67.33 -47.17 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.844 ' O ' HD11 ' A' ' 31' ' ' LEU . 79.5 mt -74.89 -33.72 62.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.86 36.55 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' CG1' ' CB ' ' A' ' 27' ' ' ALA . 4.9 m -123.35 152.9 65.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.81 155.88 64.64 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -59.06 -22.0 60.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.65 18.69 20.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.549 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.62 137.23 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.5 t -82.15 151.37 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.5 tt0 -34.76 -52.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -55.1 -45.11 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.5 mm100 -59.31 -43.52 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.95 -54.07 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -57.4 -46.5 83.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -65.73 -44.32 86.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.434 ' CB ' ' CG1' ' A' ' 15' ' ' VAL . . . -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.663 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 12.7 t80 -75.7 -55.55 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -43.11 -65.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -44.84 -50.45 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.844 HD11 ' O ' ' A' ' 13' ' ' LEU . 50.3 mt -55.3 -62.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.61 -34.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.3 mmt -68.62 -48.58 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.1 tttt -63.9 -32.39 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 97.8 m-85 -113.6 21.59 14.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.94 120.95 65.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.79 0.57 5.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -100.98 -33.2 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -98.99 -39.91 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -69.3 130.45 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -107.17 56.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -145.31 143.63 20.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -17.25 37.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.27 -34.72 31.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -50.04 -41.58 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.04 65.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -50.42 -56.34 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -56.61 -31.26 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -62.44 -20.31 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -98.65 -32.02 11.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.624 HG22 ' CD1' ' A' ' 28' ' ' PHE . 1.8 mt -70.05 -47.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -66.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -43.86 -37.22 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -69.1 -43.91 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 28.1 t80 -68.44 -52.45 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' TYR . 6.3 mm-40 -35.37 -50.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -66.7 -42.76 85.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.76 HD12 HD12 ' A' ' 13' ' ' LEU . 70.9 mt -85.82 8.98 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' CZ ' ' A' ' 56' ' ' TYR . 23.1 t -99.33 -38.8 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.88 166.52 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.35 -71.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -50.33 -47.09 56.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.03 -55.61 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.26 -29.0 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -69.29 -43.07 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.696 ' HA ' HG22 ' A' ' 70' ' ' THR . 10.2 mt-10 -72.72 -44.93 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 42.8 t80 -60.69 -30.21 69.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -87.09 -44.24 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.0 t -68.6 -27.83 66.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 70' ' ' THR . 16.1 mt -104.07 -45.46 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 -155.23 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -92.97 -52.61 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.8 t -78.14 -40.04 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -65.29 -39.52 92.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.581 ' HA ' ' CD2' ' A' ' 73' ' ' HIS . 62.3 m -104.08 155.71 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ASP . 15.1 m-30 -51.07 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' TYR . 22.0 m-85 -36.92 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -82.35 -47.19 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' TYR . 65.3 mt -59.69 -42.01 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 59' ' ' LEU . 82.8 mt -81.79 -37.56 26.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.15 32.51 7.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.68 152.34 61.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 171.28 14.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.39 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -29.6 66.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -93.27 5.21 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.46 131.28 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.5 m -83.23 154.39 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -38.81 -48.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.67 -38.86 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' SER . 13.3 mm100 -66.15 -47.08 75.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -62.36 -53.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -54.73 -45.63 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -65.31 -43.4 91.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.92 99.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.748 ' CD1' HG22 ' A' ' 52' ' ' ILE . 49.3 t80 -71.22 -55.17 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -45.25 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 10.0 ptpt -45.95 -48.6 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.693 HD11 ' O ' ' A' ' 13' ' ' LEU . 37.2 mt -56.39 -63.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.15 -34.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -68.75 -44.63 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 26.3 tttp -65.27 -36.08 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 86.6 m-85 -110.09 17.81 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.8 t-80 -58.5 119.86 39.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.2 Cg_endo -69.72 -3.55 12.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.47 -38.42 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.68 -35.39 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -75.04 121.36 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 47.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -133.52 143.05 46.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.2 8.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.09 -40.38 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -45.58 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.35 -40.98 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.49 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.74 -53.62 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.478 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 42.6 t80 -54.57 -31.24 56.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -62.86 -21.32 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -96.03 -27.16 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.748 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -73.22 -46.8 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -56.95 -64.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.07 -38.43 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.93 -46.76 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' SER . 50.9 t80 -68.79 -54.06 18.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' TYR . 7.8 mm-40 -34.47 -44.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.6 m -72.65 -48.28 40.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 13' ' ' LEU . 25.2 mt -83.09 11.78 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' TYR . 41.9 t -91.7 -53.68 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.02 -174.96 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.25 -65.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -54.23 -41.46 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -62.06 -54.87 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.99 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -65.29 -48.25 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.6 mt-10 -65.2 -48.5 73.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 59' ' ' LEU . 69.6 t80 -56.83 -13.32 2.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.62 -44.03 5.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.4 t -75.0 -15.66 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.6 mt -110.77 -42.83 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.89 -179.16 25.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 8' ' ' SER . 38.1 t-80 -87.64 -1.8 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -104.28 -25.07 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.04 -55.94 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.876 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -99.36 158.08 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 17.5 m-85 -50.93 -60.26 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 31.7 m-85 -39.18 -33.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.13 -44.91 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.59 -42.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.731 HD12 HD12 ' A' ' 59' ' ' LEU . 96.7 mt -82.32 -36.37 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.05 36.68 5.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 4.1 m -120.87 153.45 57.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.597 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.83 159.83 51.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 26.8 mmtp -60.59 -23.65 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.52 19.33 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.597 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.15 129.27 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.1 t -76.46 154.16 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 15.5 tt0 -37.25 -53.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -54.91 -42.12 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.8 mt-30 -62.97 -43.48 98.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -67.85 -44.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -66.04 -38.35 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -70.88 -48.05 55.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.98 93.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.715 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.1 t80 -71.18 -54.22 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -42.95 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -43.31 -51.12 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 13' ' ' LEU . 49.8 mt -54.37 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -36.24 -34.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' LEU . 14.4 mmt -70.93 -46.69 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 29.5 tttt -63.96 -29.27 70.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.57 ' CE1' ' HD3' ' A' ' 48' ' ' LYS . 97.3 m-85 -119.81 24.45 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.7 t-80 -65.3 121.35 74.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.26 3.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.71 2.274 . . . . 0.0 112.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -109.23 -30.67 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -99.82 -38.8 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -72.54 -37.24 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.11 42.28 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -122.6 153.67 62.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.696 0.76 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -36.25 11.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -35.98 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.68 80.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.75 -46.88 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.19 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -48.33 -62.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 53' ' ' ALA . 47.8 t80 -52.31 -36.05 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.86 -21.74 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -100.26 -30.72 11.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.653 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -72.65 -43.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.43 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -45.54 -37.11 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.84 -39.05 90.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.715 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 41.5 t80 -74.31 -51.07 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -37.71 -48.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.6 m -66.06 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.731 HD12 HD12 ' A' ' 13' ' ' LEU . 14.3 mt -82.72 12.53 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' TYR . 13.6 t -91.64 -53.29 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.66 -175.0 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.78 -65.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -55.11 -44.02 74.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -57.78 -54.83 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.63 -29.5 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -66.18 -49.5 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.744 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.6 mt-10 -66.87 -36.89 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 59' ' ' LEU . 80.0 t80 -63.0 -32.74 74.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.63 -45.76 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.744 HG22 ' HA ' ' A' ' 67' ' ' GLU . 4.3 t -65.91 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 70' ' ' THR . 18.7 mt -102.54 -51.12 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.93 -138.58 11.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -113.72 -44.41 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -75.34 -40.14 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.88 -50.48 13.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -81.06 145.29 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' TYR . 14.0 m-30 -40.65 -60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' TYR . 23.0 m-85 -34.83 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.7 t70 -79.06 -47.9 15.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' TYR . 59.1 mt -57.1 -40.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.757 ' O ' HD11 ' A' ' 31' ' ' LEU . 79.0 mt -83.68 -39.96 19.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.27 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.43 152.6 51.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.594 0.711 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.504 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.83 159.64 52.61 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -29.43 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -99.76 17.2 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -60.04 141.62 55.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -85.01 159.02 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 24' ' ' ILE . 17.7 tt0 -49.18 -45.55 44.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -64.65 -28.77 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -76.76 -33.62 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 59' ' ' LEU . 20.8 mt -71.21 -57.03 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.8 pttp -54.31 -43.0 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 15.4 mtmt -63.17 -52.49 62.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.63 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.758 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.1 t80 -71.26 -49.24 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -45.29 -63.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -46.99 -42.82 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 13' ' ' LEU . 76.7 mt -62.73 -62.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.86 -34.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.46 -41.14 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.0 tttp -68.93 -26.75 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -121.76 24.14 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -66.44 124.83 89.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.79 0.87 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -104.45 -42.55 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -89.14 -35.92 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 32.6 t-20 -79.7 110.12 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.14 43.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.1 m -131.85 144.09 51.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.3 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -46.71 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -43.89 -48.08 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.19 -45.25 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.51 78.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -54.59 -57.6 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.9 -39.53 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -52.53 -23.87 7.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -96.93 -29.21 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.758 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.2 mt -71.31 -47.46 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.21 -66.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -40.92 -42.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -58.1 -46.18 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.627 ' HD1' HG22 ' A' ' 24' ' ' ILE . 73.6 t80 -71.63 -52.96 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.8 mm-40 -34.45 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 m -74.66 -48.01 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 24' ' ' ILE . 11.6 mt -84.2 11.32 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 56' ' ' TYR . 5.1 p -90.79 -60.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' OG ' ' A' ' 60' ' ' SER . 1.6 t70 -69.56 -177.57 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.16 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.14 -42.74 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -58.37 -56.25 24.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -63.15 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -39.09 87.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.695 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.3 mt-10 -72.63 -50.28 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 73' ' ' HIS . 48.5 t80 -59.23 -20.1 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.89 -40.17 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.695 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -75.92 -21.0 57.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.23 -42.05 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' HIS . . . 98.58 136.12 9.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 68' ' ' TYR . 14.5 t60 -36.8 -47.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -54.9 -58.36 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -72.95 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 49.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 t -122.54 162.63 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 18.6 m-85 -61.86 -53.06 60.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -44.75 -24.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -47.75 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -57.75 -38.94 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 31' ' ' LEU . 95.5 mt -86.22 -42.75 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.78 35.23 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.67 155.15 50.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.75 160.15 50.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.56 -25.93 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -108.01 20.64 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.42 152.38 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.2 t -103.43 156.35 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -41.2 -43.42 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -60.42 -37.5 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' SER . 43.6 mt-30 -76.17 -44.17 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 59' ' ' LEU . 46.5 mt -63.41 -38.3 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.36 -30.26 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -77.08 -51.07 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -59.17 -36.87 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.0 t80 -75.1 -58.32 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -42.46 -60.52 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 9.4 ptmt -50.03 -49.85 49.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 13' ' ' LEU . 32.1 mt -56.5 -63.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.09 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.0 mmt -68.75 -48.37 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.1 ttmt -62.11 -34.09 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 98.4 m-85 -115.32 24.98 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.0 t-80 -63.89 120.76 66.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.81 -2.77 10.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -103.21 -35.37 8.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -91.97 -37.98 12.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -74.97 129.01 36.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -97.89 40.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.3 145.55 55.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.68 0.752 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.45 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -42.49 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.13 -47.75 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.21 -44.25 10.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.42 83.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.34 -57.5 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.71 -31.43 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -59.16 -22.06 60.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.08 -30.94 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.626 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.1 mt -71.48 -46.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.4 -60.5 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -49.05 -33.4 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -68.41 -37.64 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.63 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.7 t80 -76.46 -47.27 23.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -38.9 -50.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.478 HG21 ' CD2' ' A' ' 68' ' ' TYR . 26.2 m -66.85 -49.54 65.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 13' ' ' LEU . 60.7 mt -77.36 6.15 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 21.9 t -94.28 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.46 161.27 28.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -71.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -49.33 -45.6 45.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -58.02 -56.42 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -61.43 -29.97 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -69.39 -48.49 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.621 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.7 mt-10 -67.06 -49.68 64.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 39.2 t80 -55.57 -16.36 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -98.81 -43.85 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.9 t -74.01 -17.35 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.42 ' HG ' HG23 ' A' ' 70' ' ' THR . 21.8 mt -111.12 -51.18 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.39 -147.26 17.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -111.44 -38.59 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -79.04 -25.43 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -93.05 -63.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ALA . 21.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.5 m -115.31 162.99 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.648 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 18.6 m-85 -55.3 -58.01 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 34.9 m-85 -41.65 -31.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.19 -47.13 15.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.496 HG21 ' HG3' ' A' ' 51' ' ' GLU . 64.1 mt -60.81 -45.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.798 HD12 HD12 ' A' ' 59' ' ' LEU . 90.1 mt -76.85 -33.58 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.61 35.28 7.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG13 ' CB ' ' A' ' 27' ' ' ALA . 2.4 m -120.81 156.17 56.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.635 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.77 159.71 52.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 73.1 mmtt -60.42 -25.63 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -110.99 24.39 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.635 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -60.39 138.78 57.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -84.13 157.79 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -43.56 -40.54 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.34 -45.62 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.03 -39.8 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.5 HD13 ' O ' ' A' ' 59' ' ' LEU . 21.0 mt -67.94 -52.56 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -57.0 -44.97 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -68.49 -51.62 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 15' ' ' VAL . . . -54.71 -39.46 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.735 ' CD1' HG22 ' A' ' 52' ' ' ILE . 13.3 t80 -75.75 -51.74 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -42.8 -60.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 18.9 ptpt -51.55 -44.78 62.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD11 ' O ' ' A' ' 13' ' ' LEU . 55.7 mt -59.97 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.34 -37.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -68.02 -43.96 77.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.4 ttmm -64.47 -37.76 88.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.502 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 84.2 m-85 -109.86 22.86 15.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.1 t-80 -65.67 137.65 96.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.66 -51.83 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.27 -41.51 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -85.38 125.05 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -91.86 16.31 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' ' 45' ' ' ALA . 94.5 p -101.42 147.07 33.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -45.96 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -36.68 72.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.508 ' HB2' ' OG ' ' A' ' 42' ' ' SER . . . -45.99 -56.53 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.43 -40.93 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -52.6 59.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 20.6 mmmt -47.68 -53.98 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.69 -32.21 59.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.93 -21.59 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.496 ' HG3' HG21 ' A' ' 12' ' ' ILE . 1.4 pt-20 -97.04 -31.5 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.735 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.3 mt -70.64 -49.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -54.32 -59.89 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -48.52 -40.9 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 30.0 t80 -67.93 -53.41 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' TYR . 42.6 mt-10 -34.43 -48.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.3 m -68.15 -41.56 81.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.798 HD12 HD12 ' A' ' 13' ' ' LEU . 22.2 mt -91.01 14.26 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 28.1 t -94.47 -51.16 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.99 -174.94 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.34 -66.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -55.42 -45.84 76.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -55.36 -53.45 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.42 -35.6 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.732 ' HA ' HG22 ' A' ' 70' ' ' THR . 9.8 mt-10 -74.03 -45.82 47.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.648 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 48.9 t80 -63.62 -12.8 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.29 -35.24 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.732 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.2 t -79.8 -23.34 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 28.7 mt -103.77 -48.3 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.69 167.87 13.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -65.76 -49.05 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -75.55 -28.35 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -78.85 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 14.8 m -95.96 156.15 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 8.3 m-30 -46.5 -62.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' CG ' ' HE3' ' A' ' 17' ' ' LYS . 28.8 m-85 -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -46.71 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.81 -38.24 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD12 HD12 ' A' ' 59' ' ' LEU . 93.8 mt -89.97 -37.77 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.15 28.24 8.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.01 153.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.081 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.502 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.81 159.13 54.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.622 2.215 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HE3' ' CG ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.63 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -101.71 18.83 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -55.23 138.51 44.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 t -85.07 147.82 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.4 tt0 -35.54 -42.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -60.79 -45.9 92.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' SER . 46.3 mt-30 -65.11 -44.49 88.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 59' ' ' LEU . 25.8 mt -56.46 -57.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 8.5 ptmt -64.32 -33.08 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.41 -52.2 62.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.71 85.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.756 ' CD1' HG22 ' A' ' 52' ' ' ILE . 19.8 t80 -59.33 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 5.1 m80 -36.86 -66.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -43.97 -51.65 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.9 mt -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.77 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' LEU . 13.2 mmt -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 7.4 tmtm? -64.09 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.654 ' CD2' HD11 ' A' ' 52' ' ' ILE . 72.5 m-85 -104.03 11.4 35.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' ALA . 9.7 t-80 -54.45 129.1 61.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.8 24.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -97.0 -25.0 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -49.41 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 45' ' ' ALA . 4.9 m-20 -73.26 106.73 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -82.58 49.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -135.48 152.63 76.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.802 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.97 9.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -40.43 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -47.67 -54.44 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -46.97 -51.1 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 1.8 mmpt? -46.93 -58.96 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -51.32 -36.87 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -53.25 -25.41 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -97.25 -28.19 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.756 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.5 mt -71.45 -43.87 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.29 -67.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -38.86 -47.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -55.18 -40.35 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.583 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 58.4 t80 -74.6 -47.59 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.56 -49.23 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.3 m -64.53 -55.1 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.619 ' O ' HD13 ' A' ' 24' ' ' ILE . 71.7 mt -69.78 -8.44 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 2.5 m -82.48 -55.2 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.68 175.59 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -70.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.18 -34.27 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -70.05 -53.47 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -64.43 -29.67 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -77.17 -59.37 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.683 ' HA ' HG22 ' A' ' 70' ' ' THR . 4.6 mm-40 -51.75 -31.33 26.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 32.8 t80 -75.47 -22.77 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.31 -26.28 15.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.683 HG22 ' HA ' ' A' ' 67' ' ' GLU . 5.9 t -85.02 -37.79 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.518 ' HG ' HG23 ' A' ' 70' ' ' THR . 11.5 mt -91.5 -40.81 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.55 -171.31 14.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 57.6 t60 -86.33 -42.59 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -82.6 -32.67 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -72.39 -58.72 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.3 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 m -124.02 155.61 37.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.537 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 14.9 m-30 -50.45 -61.25 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.76 -36.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.22 -43.04 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.2 mt -61.89 -47.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.769 ' O ' HD11 ' A' ' 31' ' ' LEU . 61.6 mt -75.6 -36.08 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.44 33.23 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 24' ' ' ILE . 9.4 m -116.87 154.19 49.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.536 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.72 156.89 62.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 32.1 mmtm -56.2 -33.92 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -101.12 22.44 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.98 141.52 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 57.6 m -91.4 148.79 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' SER . 21.0 tt0 -36.11 -34.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.2 ttm180 -66.71 -49.76 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 51.3 mt-30 -65.08 -38.36 90.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.541 ' HA ' HG11 ' A' ' 15' ' ' VAL . 23.4 mt -59.35 -56.6 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -32.33 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -65.9 -49.63 67.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.06 86.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.775 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.1 t80 -62.42 -64.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' PHE . 6.7 m80 -36.24 -58.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -52.72 -46.75 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.769 HD11 ' O ' ' A' ' 13' ' ' LEU . 45.7 mt -59.19 -60.4 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -34.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.1 mmt -68.88 -46.05 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.0 tttp -67.12 -27.89 67.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 97.3 m-85 -118.15 24.04 11.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.6 t-80 -66.87 122.63 83.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.7 -0.42 6.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.2 m-20 -105.28 -33.24 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -96.51 -39.39 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 17.9 t-20 -76.12 115.75 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.49 42.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 142.27 44.45 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.83 29.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.66 -35.1 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -55.27 -40.64 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.41 -41.84 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.6 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 26.9 mmmt -50.1 -55.35 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.5 -37.57 57.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -55.83 -22.06 22.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.69 -31.8 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.775 HG22 ' CD1' ' A' ' 28' ' ' PHE . 4.9 mt -67.29 -44.47 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.99 -67.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -40.29 -40.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -60.89 -45.2 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLU . 41.9 t80 -69.27 -58.13 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 63.1 mm-40 -34.49 -49.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 m -66.87 -49.36 65.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 9' ' ' TYR . 60.2 mt -78.1 6.36 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' TYR . 33.0 t -94.87 -47.97 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.1 157.11 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.12 -66.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -51.74 -45.83 63.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -55.65 -57.54 11.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -62.32 -33.05 73.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -61.24 -37.61 83.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.564 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.0 mt-10 -79.75 -44.33 20.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -61.96 -19.25 62.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.66 -40.09 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -77.48 -23.34 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -104.11 -52.01 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.04 -147.76 16.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -113.1 -24.01 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -96.51 -25.96 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.04 -49.77 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -54.42 163.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -119.38 36.42 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 70.66 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -80.51 94.97 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -111.75 -176.03 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.42 -89.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 73' ' ' HIS . 3.7 p -87.22 142.16 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.47 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.5 m-30 -45.17 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.581 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 28.5 m-85 -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -77.07 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.652 HG21 ' HG3' ' A' ' 51' ' ' GLU . 76.1 mt -57.73 -37.87 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.672 HD12 HD12 ' A' ' 59' ' ' LEU . 95.5 mt -86.68 -35.99 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.81 32.26 9.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 24' ' ' ILE . 2.5 m -114.82 152.54 46.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.85 163.78 37.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 38.5 mmtm -65.11 -24.07 67.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.35 18.53 20.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.73 133.04 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.0 t -73.72 148.42 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -40.42 -44.13 1.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' NH1' ' HG3' ' A' ' 23' ' ' GLN . 5.2 ptm180 -64.05 -36.23 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' SER . 49.9 mt-30 -69.09 -46.18 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.597 ' HA ' HG11 ' A' ' 15' ' ' VAL . 43.7 mt -55.83 -62.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 14.6 ptpt -56.48 -37.72 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -60.41 -51.79 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.2 t80 -51.7 -63.54 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' PHE . 3.9 m80 -34.4 -63.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -46.02 -49.34 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 13' ' ' LEU . 60.6 mt -57.93 -63.53 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -36.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmt -67.0 -44.32 80.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.4 tttp -67.58 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -117.13 16.14 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.9 t-80 -71.08 138.75 84.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -26.8 27.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 0.8 OUTLIER -71.62 -30.88 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -102.97 -57.3 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.612 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 4.7 t-20 -58.79 129.77 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -88.64 -44.92 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -46.88 143.77 4.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.701 0.762 . . . . 0.0 110.814 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.78 24.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -36.12 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.612 ' HB2' ' CG ' ' A' ' 40' ' ' ASN . . . -44.89 -58.45 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -45.67 -47.01 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -51.35 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -48.83 -52.17 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.96 -26.5 36.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.67 -19.33 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HG3' HG21 ' A' ' 12' ' ' ILE . 4.8 pt-20 -99.94 -31.63 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.8 mt -68.65 -45.71 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.68 -66.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -42.2 -38.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -63.82 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 53.3 t80 -70.7 -54.61 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.2 mt-10 -34.69 -47.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 m -68.02 -49.36 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.672 HD12 HD12 ' A' ' 13' ' ' LEU . 47.3 mt -81.58 12.54 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' TYR . 17.7 p -95.15 -47.69 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.1 -175.0 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 -66.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -57.26 -44.79 84.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -54.14 -48.08 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.06 -31.95 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -64.08 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.641 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.2 mt-10 -73.1 -47.62 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 27.6 t80 -62.16 -8.56 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.4 -27.45 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 67' ' ' GLU . 4.2 t -91.07 -22.31 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.0 mt -104.12 -47.63 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.24 -178.73 17.21 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.826 ' O ' HG23 ' A' ' 77' ' ' THR . 44.3 t-80 -69.7 -66.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 p -67.56 -26.6 66.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -72.0 -56.58 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 9.3 t80 -62.19 -27.68 69.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 73' ' ' HIS . 17.2 p -93.24 49.77 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -126.0 85.58 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.59 -116.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -104.74 83.65 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.91 -176.14 43.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -75.77 120.09 20.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -110.36 -175.19 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.88 83.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.49 12.12 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 p -41.98 133.43 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.7 m -62.32 -54.83 34.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 p -105.37 41.68 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -154.64 148.23 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.02 -119.65 5.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 53.31 37.12 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 m -87.9 119.49 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . -120.65 -66.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -106.76 160.28 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.365 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ASP . 14.3 m-30 -56.69 -59.71 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -39.06 -28.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -85.53 -48.43 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.81 -41.05 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.777 ' O ' HD11 ' A' ' 31' ' ' LEU . 69.8 mt -82.22 -44.35 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.66 37.3 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.49 151.79 73.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 165.77 29.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -66.28 -29.78 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.5 p -93.88 9.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' O ' ' NH2' ' A' ' 65' ' ' ARG . . . -51.27 136.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -90.84 160.84 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.18 -55.47 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 23' ' ' GLN . 10.3 ptm180 -52.04 -39.75 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.0 mm100 -67.67 -49.44 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 59' ' ' LEU . 21.0 mt -60.69 -40.48 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -64.5 -53.35 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -59.35 -45.51 91.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.85 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.75 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.2 t80 -66.62 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -38.77 -63.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -48.06 -48.47 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.777 HD11 ' O ' ' A' ' 13' ' ' LEU . 35.5 mt -56.66 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -37.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.9 mmt -65.71 -49.08 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.6 tmtm? -63.92 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.696 ' CD2' HD11 ' A' ' 52' ' ' ILE . 80.7 m-85 -110.08 16.07 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 14.2 t-80 -65.75 135.09 95.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -14.49 36.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.307 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.07 -47.62 8.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -80.86 -43.05 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -74.58 118.33 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -94.07 43.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -132.44 152.38 79.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.44 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -54.27 -41.81 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.51 -53.52 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.16 -46.26 34.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -53.36 49.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 4.3 mmmm -42.83 -55.11 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.52 -38.97 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -55.19 -23.13 20.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.75 -26.85 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.75 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.6 mt -71.4 -43.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.95 -64.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -44.38 -36.96 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.93 -39.11 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.676 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 31.2 t80 -76.75 -50.02 14.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -39.64 -46.41 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 m -69.8 -45.94 66.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.556 HD12 HD12 ' A' ' 13' ' ' LEU . 36.2 mt -85.51 13.46 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.553 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 29.1 t -97.91 -46.3 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -83.46 -174.98 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.71 -65.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.89 -46.79 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -50.57 -47.2 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 21.0 ttt180 -72.4 -37.98 68.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -59.76 -42.56 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.677 ' HA ' HG22 ' A' ' 70' ' ' THR . 10.2 mt-10 -72.66 -35.79 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.454 ' CE2' HD21 ' A' ' 59' ' ' LEU . 50.6 t80 -66.73 -24.37 66.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -94.86 -43.71 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.677 HG22 ' HA ' ' A' ' 67' ' ' GLU . 2.3 t -68.77 -27.88 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' A' ' 70' ' ' THR . 24.0 mt -101.33 -51.13 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.28 -136.29 10.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 67.2 t60 -124.74 -38.41 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 t -73.68 -18.19 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.02 -67.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -38.85 -60.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 77' ' ' THR . 4.6 t -117.88 73.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.7 p -79.18 111.17 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.25 -123.64 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -164.8 132.0 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.366 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.41 -77.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.503 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.93 99.37 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -101.83 158.96 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 56.63 68.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.13 64.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 p -54.96 132.94 48.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.7 m -95.24 126.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -59.4 108.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m 52.47 46.33 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.87 -96.05 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m 51.25 42.92 29.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.373 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -111.89 161.14 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 73' ' ' HIS . . . 175.6 -75.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -98.84 145.94 26.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.528 ' HE2' HG21 ' A' ' 58' ' ' THR . 16.8 m-30 -47.84 -67.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CD2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m-85 -36.49 -38.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -46.13 45.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' TYR . 70.2 mt -61.76 -35.99 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.735 HD12 HD12 ' A' ' 59' ' ' LEU . 88.9 mt -87.73 -36.54 17.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.51 34.49 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 m -116.57 154.72 49.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.75 161.42 45.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -62.23 -22.93 66.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -109.32 18.14 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.555 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -55.29 130.21 41.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.1 m -78.5 147.41 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' SER . 32.1 tt0 -35.3 -50.21 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 29.6 ttp180 -54.74 -43.32 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' SER . 35.6 mt-30 -65.87 -48.02 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 56' ' ' TYR . 26.6 mt -51.38 -60.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.3 pttt -62.3 -35.38 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 20.5 mmtm -60.69 -44.85 96.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.53 61.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.768 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.1 t80 -60.18 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -40.78 -59.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -54.55 -46.99 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 13' ' ' LEU . 28.5 mt -55.92 -62.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.28 -38.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mmt -67.21 -40.21 86.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' LEU . 23.2 ttmt -68.79 -30.81 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 92.3 m-85 -113.91 20.11 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 10.9 t-80 -68.61 136.62 90.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -80.64 -46.9 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -78.99 -47.24 16.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.19 -40.13 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm 50.46 49.25 21.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -135.79 151.79 74.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -44.99 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 -37.55 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.35 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -47.5 -46.3 27.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.08 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -48.68 -52.89 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.83 -35.35 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -57.76 -23.07 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.26 -23.2 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.768 HG22 ' CD1' ' A' ' 28' ' ' PHE . 8.5 mt -74.89 -48.62 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -59.79 -66.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.42 -41.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.63 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 81.8 t80 -64.64 -53.98 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' TYR . 79.9 mm-40 -37.97 -44.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.528 HG21 ' HE2' ' A' ' 9' ' ' TYR . 57.4 m -72.65 -41.54 65.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.735 HD12 HD12 ' A' ' 13' ' ' LEU . 77.7 mt -82.92 0.2 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' TYR . 52.4 p -89.81 -48.88 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.17 157.92 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.18 -70.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.13 -49.1 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -51.84 -54.01 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -71.8 -38.04 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.5 mt-10 -77.48 -42.18 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 59' ' ' LEU . 41.6 t80 -59.81 -25.86 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.39 -47.53 7.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.5 t -67.78 -24.95 65.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' HG ' HG23 ' A' ' 70' ' ' THR . 56.9 mt -106.54 -49.53 3.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -140.97 15.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.497 ' O ' HG23 ' A' ' 77' ' ' THR . 84.0 t60 -114.53 -52.72 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -62.37 -36.7 83.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.05 -63.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -42.03 -50.8 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -122.77 79.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -87.05 124.99 33.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.44 43.73 5.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -144.47 144.6 31.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.32 -41.71 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -48.05 -45.63 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.7 m -63.39 109.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.94 -158.16 12.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.35 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 t -110.16 124.29 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -99.55 -48.86 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -84.7 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -104.22 5.97 35.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 48.84 -93.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 90.1 p -36.85 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.1 m -37.29 -64.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.02 -115.2 6.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -97.95 155.14 17.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 16.0 m-30 -50.55 -52.7 36.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -41.16 -30.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.0 -48.17 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.39 -46.19 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 59' ' ' LEU . 79.1 mt -76.98 -40.33 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.27 35.92 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.84 152.41 62.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 159.75 52.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -59.38 -30.23 68.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -105.72 22.36 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.24 141.32 41.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLN . 73.0 m -80.87 148.1 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -39.76 -48.33 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.15 -38.93 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' SER . 22.3 mt-30 -64.55 -42.24 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.561 HG21 ' O ' ' A' ' 59' ' ' LEU . 48.4 mt -63.13 -60.17 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -40.06 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -67.3 -48.9 66.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.442 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -60.38 -38.88 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.1 t80 -71.84 -58.82 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -44.38 -62.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 10.8 ptmt -48.75 -49.65 37.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.732 HD11 ' O ' ' A' ' 13' ' ' LEU . 26.5 mt -56.21 -65.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -33.91 -37.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.1 mmt -66.06 -48.28 71.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -63.79 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.525 ' CD2' HD11 ' A' ' 52' ' ' ILE . 88.7 m-85 -111.11 19.12 18.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' ALA . 15.1 t-80 -68.02 134.57 91.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 -29.29 24.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -76.69 -51.7 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -74.59 -45.25 46.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 11.9 t-20 -83.1 139.28 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -117.53 73.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -150.34 149.85 27.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.702 0.763 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -27.22 27.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -32.83 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.71 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.87 -50.1 36.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.98 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -45.36 -56.4 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 31.6 t80 -53.06 -40.57 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -53.28 -22.07 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.63 -26.63 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.666 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.9 mt -75.62 -44.6 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.96 -65.54 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -43.88 -39.24 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.74 -42.09 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.695 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 25.8 t80 -70.31 -51.05 33.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 27.9 mt-10 -34.46 -49.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.4 m -66.77 -50.09 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 13' ' ' LEU . 21.4 mt -82.7 14.94 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' TYR . 11.3 t -94.18 -53.6 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -79.26 177.5 8.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.77 -67.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -53.59 -48.87 68.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -51.42 -51.79 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 17' ' ' LYS . 2.0 tmt_? -70.78 -26.8 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -71.0 -38.29 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.722 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.9 mt-10 -77.07 -37.28 54.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -62.6 -20.41 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.66 -34.62 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.4 t -82.92 -21.28 34.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 70' ' ' THR . 30.2 mt -108.78 -47.2 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.04 -141.17 16.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -123.74 -20.5 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.9 p -84.8 -25.18 28.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.14 -60.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -40.62 -58.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -103.81 -42.57 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t 55.86 51.7 11.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.95 85.51 1.55 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -132.38 144.3 50.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.09 -109.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -43.13 131.59 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 t -118.22 149.87 40.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.13 143.3 14.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.2 9.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 t -38.09 124.23 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -98.05 -56.79 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 139.31 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.805 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.02 168.11 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.81 -89.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 62.07 42.04 10.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -82.34 146.26 29.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.04 -76.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.539 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 46.3 m -98.46 154.55 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 17.5 m-85 -43.24 -57.82 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CD2' ' CD ' ' A' ' 17' ' ' LYS . 28.0 m-85 -34.4 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.8 t70 -78.1 -50.49 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.487 HG21 ' O ' ' A' ' 51' ' ' GLU . 42.7 mt -57.2 -36.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 59' ' ' LEU . 94.8 mt -87.25 -34.03 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.18 30.24 13.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 24' ' ' ILE . 2.7 m -115.24 155.32 47.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.8 166.47 27.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.618 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 29.5 mmtp -67.03 -21.87 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -109.96 17.6 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -55.0 132.37 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' GLN . 22.6 t -78.39 150.0 33.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.06 -44.61 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.5 tpt180 -64.2 -35.29 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.1 mt-30 -71.19 -43.81 66.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.502 ' HA ' HG11 ' A' ' 15' ' ' VAL . 38.5 mt -59.58 -63.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 15.0 ptmt -56.17 -30.77 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 13.4 mmtm -67.69 -51.54 48.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.73 87.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.792 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.2 t80 -64.08 -58.35 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -40.13 -62.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -50.61 -47.42 58.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 13' ' ' LEU . 39.6 mt -56.44 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.27 -37.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -66.35 -42.74 87.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.4 ttmm -66.34 -34.85 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -110.62 21.03 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.503 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 15.3 t-80 -66.48 139.47 96.14 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.75 -43.25 2.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.7 -54.64 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -66.79 -53.15 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 7.6 t-20 -71.77 124.03 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -97.4 38.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -125.52 152.37 71.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -46.52 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.412 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -47.45 -54.75 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -47.75 -43.94 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.77 37.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -45.93 -50.31 14.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.75 -28.49 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.36 -17.06 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 12' ' ' ILE . 18.3 mt-10 -101.62 -24.51 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.792 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -76.8 -46.03 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.17 -62.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -45.9 -36.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.31 -41.92 89.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.67 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 80.9 t80 -74.49 -52.17 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 80.8 mm-40 -34.44 -39.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.2 m -77.93 -51.83 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 13' ' ' LEU . 41.3 mt -77.18 4.88 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 97.3 p -93.86 -52.6 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.18 159.72 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.81 -71.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -49.52 -45.58 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -57.71 -56.32 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -62.8 -29.51 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -66.87 -50.63 61.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' HG22 ' A' ' 70' ' ' THR . 14.5 mt-10 -65.32 -38.12 89.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 45.1 t80 -66.73 -12.6 59.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.8 -39.4 7.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.8 t -77.23 -20.19 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HG ' HG23 ' A' ' 70' ' ' THR . 11.5 mt -107.78 -45.91 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.8 -141.7 15.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 58.5 t60 -115.63 -47.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -71.54 -31.87 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.05 -51.49 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.63 -18.58 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 73' ' ' HIS . 77.9 p -100.44 52.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.2 t -131.47 153.57 49.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.23 -54.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -74.51 -53.96 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -109.87 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.544 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -131.85 119.58 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -99.89 158.96 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.43 83.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 143.14 49.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.6 m -81.03 108.51 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' SER . 70.8 m 34.44 44.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -129.77 164.05 24.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -68.66 152.77 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.83 -61.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -144.23 130.93 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -63.5 163.7 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 -94.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.45 141.33 36.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.601 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 15.2 m-30 -41.72 -62.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HD1' HG23 ' A' ' 15' ' ' VAL . 19.8 m-85 -34.5 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' TYR . 6.5 t70 -78.98 -49.52 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.6 mt -59.69 -40.05 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.79 ' O ' HD11 ' A' ' 31' ' ' LEU . 75.5 mt -80.72 -39.75 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.91 37.42 4.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' HD1' ' A' ' 10' ' ' TYR . 3.5 m -122.77 155.29 63.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.25 46.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 48.8 mmtt -61.95 -26.89 68.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -100.18 13.82 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.85 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 m -83.03 152.42 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' SER . 19.3 tt0 -37.51 -50.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 13.2 ptp180 -57.67 -41.52 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 34.1 mt-30 -63.38 -45.33 91.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.05 -45.76 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.68 -57.68 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 1.1 mptm? -56.25 -42.91 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.72 94.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.797 ' CD1' HG22 ' A' ' 52' ' ' ILE . 50.9 t80 -71.59 -57.06 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -42.51 -66.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -46.45 -50.47 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.79 HD11 ' O ' ' A' ' 13' ' ' LEU . 48.3 mt -53.45 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.09 -35.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.67 -41.49 75.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 18.1 ttmt -67.95 -29.12 68.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.5 m-85 -117.1 21.29 13.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ALA . 12.6 t-80 -67.02 137.09 94.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.7 -25.41 28.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -83.6 -50.21 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -70.89 -42.71 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -83.29 134.58 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -101.59 30.19 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.86 31.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.08 15.3 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.89 -35.91 77.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.51 -50.93 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -48.12 -46.9 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.08 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -46.06 -56.33 5.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.52 -41.51 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 13.6 tpt85 -53.41 -25.79 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -93.37 -24.38 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.7 mt -74.91 -44.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -62.96 -64.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -39.7 -40.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -68.19 -39.42 82.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 52.3 t80 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -37.05 -42.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.462 HG21 ' HE2' ' A' ' 9' ' ' TYR . 30.9 m -73.57 -42.91 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 13' ' ' LEU . 33.3 mt -90.35 13.77 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 9.8 p -95.27 -50.03 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.76 -176.54 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.64 -67.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.07 -47.05 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -52.38 -49.63 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.27 -30.53 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -68.21 -26.13 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HA ' HG22 ' A' ' 70' ' ' THR . 23.2 mt-10 -86.48 -50.39 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 22.0 t80 -54.89 -14.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.27 -48.66 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.461 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 1.3 t -69.47 -19.84 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 18.4 mt -113.3 -42.37 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 87.1 147.09 11.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 35.1 t-80 -48.99 -34.74 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -60.01 -32.65 71.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -108.58 -61.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' ALA . 33.1 t80 -34.86 -67.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -98.19 -26.36 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t 38.09 49.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.72 167.04 41.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.09 -127.01 8.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 83' ' ' SER . 0.9 OUTLIER -175.18 116.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.403 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 62.3 p -78.74 132.42 36.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.39 83.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.56 68.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -119.84 -51.0 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.2 t -112.88 169.98 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -97.25 88.33 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -166.19 173.29 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.31 67.44 0.51 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -74.6 163.56 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -121.96 130.31 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . -100.48 -94.84 2.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -103.99 166.55 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -61.16 -57.66 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 17' ' ' LYS . 28.0 m-85 -40.87 -28.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.09 -46.45 10.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 51' ' ' GLU . 96.3 mt -60.1 -45.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.859 HD12 HD12 ' A' ' 59' ' ' LEU . 86.6 mt -78.72 -35.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.91 33.11 7.16 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.47 154.05 59.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 mptt -65.48 -27.16 68.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -105.24 18.23 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -54.59 138.78 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.2 t -83.87 148.13 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 31.2 tt0 -35.7 -50.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -55.84 -43.65 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 20' ' ' SER . 17.3 mt-30 -63.39 -46.86 84.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.53 -51.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -61.05 -46.74 89.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.39 -41.24 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.77 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.733 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -60.98 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' PHE . 5.3 m170 -36.17 -62.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -46.35 -48.31 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 13' ' ' LEU . 44.2 mt -59.88 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.48 -35.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.032 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.6 mmt -68.68 -43.11 76.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -65.66 -34.02 77.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.3 m-85 -113.7 22.86 13.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.6 t-80 -64.88 126.69 91.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.79 -1.01 7.77 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.8 -40.85 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -94.43 -36.91 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -76.4 106.96 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -86.17 45.71 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.2 m -133.57 148.52 69.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -41.47 4.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.03 -37.03 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.39 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.11 -50.56 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -60.46 -55.11 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CB ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 mmpt? -40.21 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.2 -35.89 60.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.22 -23.56 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -94.44 -29.01 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.642 HG22 ' CD1' ' A' ' 28' ' ' PHE . 1.4 mt -76.12 -49.03 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.93 -62.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.25 -40.59 16.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.733 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 26.5 t80 -74.49 -52.82 10.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 10.0 mm-40 -34.44 -52.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.566 HG21 ' HB2' ' A' ' 68' ' ' TYR . 21.6 m -64.13 -51.29 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.859 HD12 HD12 ' A' ' 13' ' ' LEU . 41.6 mt -76.19 3.75 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 22.5 t -93.5 -55.9 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.72 153.53 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -70.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -49.97 -46.13 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -55.76 -57.39 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -62.46 -31.28 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -65.48 -35.85 82.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.602 ' HA ' HG22 ' A' ' 70' ' ' THR . 14.0 mt-10 -78.71 -47.91 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' HB2' HG21 ' A' ' 58' ' ' THR . 57.8 t80 -57.99 -21.88 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.11 -39.93 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.9 t -78.74 -17.62 55.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.19 -50.48 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 124.06 -142.0 13.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.616 ' O ' HG23 ' A' ' 77' ' ' THR . 63.7 t60 -118.16 -31.25 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t -86.2 -24.61 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.78 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -50.16 -39.0 42.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 73' ' ' HIS . 1.2 t -133.75 77.99 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -83.84 143.02 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.27 88.63 2.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -9.42 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.09 69.71 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -143.49 155.77 44.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -108.55 133.76 52.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.71 146.18 15.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 175.03 8.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -163.31 134.04 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.9 p -48.07 168.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -89.83 -53.74 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -99.67 144.4 28.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.57 76.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -164.98 145.13 7.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -91.35 -60.97 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.93 -125.68 7.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -96.67 153.74 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 16.2 m-30 -44.66 -64.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.564 ' HD1' HG23 ' A' ' 15' ' ' VAL . 15.8 m-85 -35.68 -38.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -42.73 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' TYR . 54.9 mt -62.5 -46.92 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' O ' HD11 ' A' ' 31' ' ' LEU . 73.3 mt -75.5 -42.52 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 35.17 3.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG23 ' HD1' ' A' ' 10' ' ' TYR . 2.5 m -125.11 152.39 70.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.78 160.58 49.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 10.6 mptt -60.12 -27.79 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -104.34 20.73 17.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.629 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -64.05 138.93 58.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' GLU . 31.6 t -88.29 149.28 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -33.91 -60.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -40.11 -44.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' SER . 45.0 mt-30 -68.3 -38.87 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mt -65.72 -62.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 21' ' ' GLU . 39.7 mttt -48.46 -45.51 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -67.53 -54.51 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.32 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.718 ' CD1' HG22 ' A' ' 52' ' ' ILE . 12.8 t80 -79.3 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -38.61 -56.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -55.79 -40.0 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD11 ' O ' ' A' ' 13' ' ' LEU . 34.6 mt -65.89 -58.45 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.45 -38.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.82 -33.94 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttpt -71.75 -35.1 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -113.11 17.71 18.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' ALA . 8.8 t-80 -59.06 135.43 87.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -0.87 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -111.54 -20.26 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -99.87 -37.72 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.402 ' HB3' ' CB ' ' A' ' 45' ' ' ALA . 1.3 m120 -84.12 122.32 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -90.21 35.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -130.41 153.85 81.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -53.52 -37.37 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -45.58 -57.58 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -46.16 -46.35 17.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.35 82.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -48.64 -56.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.31 -35.69 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -53.67 -22.18 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.59 -26.06 14.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.718 HG22 ' CD1' ' A' ' 28' ' ' PHE . 7.1 mt -75.64 -47.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -58.61 -63.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -46.79 -34.42 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 56.2 t80 -77.07 -52.74 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' TYR . 72.5 mm-40 -34.62 -44.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.7 m -74.3 -48.85 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 13' ' ' LEU . 37.3 mt -80.42 10.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 85.5 p -99.29 -45.72 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.88 171.15 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.35 -69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -52.44 -42.32 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -60.87 -55.93 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -62.94 -31.08 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -64.21 -40.81 96.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 70' ' ' THR . 11.4 mt-10 -72.58 -49.9 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 54.2 t80 -56.42 -28.8 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -84.54 -43.68 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.4 t -74.34 -19.26 60.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.2 mt -109.6 -52.58 2.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.38 -148.03 17.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.456 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 81.6 t60 -102.77 -60.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -33.61 73.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.82 -51.97 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 8.7 t80 -63.67 -11.43 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 73' ' ' HIS . 41.3 p -107.43 45.42 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -85.2 111.28 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.78 -56.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -158.58 147.26 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 171.49 104.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 139.56 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -163.18 163.61 25.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.57 67.57 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 151.48 69.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -90.9 98.49 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -87.1 -49.14 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -133.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -122.72 141.61 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.11 -177.25 3.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -129.21 165.4 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.835 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m -60.51 139.03 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.89 -75.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.62 ' HA ' ' CD2' ' A' ' 73' ' ' HIS . 66.9 m -100.36 150.1 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.479 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 m-30 -45.4 -62.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.92 -32.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -85.86 -46.03 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -55.8 -38.7 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 59' ' ' LEU . 96.2 mt -90.73 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.08 31.2 10.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.28 152.37 49.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.71 168.46 21.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -66.86 -30.9 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -100.06 15.78 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -53.36 123.77 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLN . 10.4 t -70.27 148.28 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' SER . 38.5 tt0 -37.12 -45.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.05 -41.49 92.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' SER . 41.5 mt-30 -63.38 -44.15 95.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 59' ' ' LEU . 44.0 mt -63.65 -54.97 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -53.7 -46.79 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 18.1 mttm -63.65 -51.06 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.1 t80 -68.61 -55.37 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -41.1 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -45.99 -51.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD11 ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -51.82 -63.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.02 -34.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.44 -39.95 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 30.5 tttp -68.96 -31.69 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.0 m-85 -116.04 15.72 16.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -53.76 124.97 45.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 0.48 5.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.91 -40.36 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -89.25 -39.86 13.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -70.31 131.96 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 41.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -129.46 151.09 77.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.684 0.754 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.93 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.29 -54.84 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -47.29 -40.41 16.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.32 -53.27 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -46.93 -54.62 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 41.6 t80 -55.7 -32.11 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -60.67 -21.67 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.86 -27.13 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.789 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.3 mt -71.03 -42.46 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -65.59 -62.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -42.62 -44.95 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -62.22 -43.73 98.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.732 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.5 t80 -67.17 -55.14 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' TYR . 19.1 mt-10 -35.55 -46.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.7 m -68.63 -50.04 54.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 13' ' ' LEU . 46.6 mt -76.44 2.47 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.9 t -90.71 -49.93 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.1 167.32 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.01 -68.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.38 -45.14 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -57.22 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -64.45 -29.44 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -67.13 -42.72 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.1 mt-10 -69.31 -50.18 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 54.8 t80 -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.31 -39.44 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -80.36 -17.43 51.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 27.3 mt -111.54 -48.21 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.62 -163.37 12.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.62 ' CD2' ' HA ' ' A' ' 8' ' ' SER . 66.2 t-80 -98.3 1.75 47.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -112.45 -29.22 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . . . -94.5 -48.75 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.66 -41.75 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.4 p -91.23 68.69 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -113.92 87.73 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.72 -73.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -136.14 148.63 48.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.78 -174.66 20.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -161.3 159.77 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.6 p -87.16 -45.34 10.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.64 165.63 0.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 116.81 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -99.6 124.97 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m 47.46 42.2 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -51.6 125.24 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -116.3 83.1 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.02 89.49 1.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -88.09 153.76 21.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 p -38.41 -55.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.64 -151.37 49.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -83.35 153.85 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.639 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 18.4 m-85 -41.62 -61.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 46.5 m-85 -36.21 -34.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 5.5 t70 -79.49 -48.18 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' TYR . 52.1 mt -58.52 -41.95 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' O ' HD11 ' A' ' 31' ' ' LEU . 77.8 mt -82.07 -34.02 29.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.17 8.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.422 HG11 ' HA ' ' A' ' 24' ' ' ILE . 3.0 m -118.3 154.58 52.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 54.3 Cg_endo -69.74 162.9 40.28 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.709 2.272 . . . . 0.0 112.383 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 35.4 mmtm -63.97 -21.02 66.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -110.64 15.69 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -53.3 125.32 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.3 m -71.85 148.91 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.9 tt0 -37.79 -48.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.07 -43.14 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 57.6 mt-30 -62.99 -48.39 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HA ' HG11 ' A' ' 15' ' ' VAL . 46.0 mt -56.52 -52.61 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -55.12 -47.67 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -59.71 -51.77 68.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.64 -49.38 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.668 ' CD1' HG22 ' A' ' 52' ' ' ILE . 16.9 t80 -62.01 -52.57 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -45.49 -68.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 1.3 ptpm? -44.9 -47.69 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -56.42 -64.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.41 -35.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mtt -69.3 -44.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttmm -64.84 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 98.5 m-85 -120.39 25.64 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' ALA . 3.4 t-80 -64.07 124.1 84.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.76 1.2 4.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 2.0 m-20 -104.92 -34.75 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -71.07 131.83 44.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -104.17 42.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m -137.74 149.14 63.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.689 0.757 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -48.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -50.34 -46.55 55.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.85 -50.75 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -47.91 -40.39 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.19 63.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HE3' ' CE1' ' A' ' 35' ' ' TYR . 2.9 mmmp? -50.99 -54.99 19.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.8 -29.14 53.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -62.02 -20.8 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -98.17 -22.71 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.668 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.4 mt -78.95 -50.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.58 -62.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -49.4 -39.82 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.64 -33.54 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 44.1 t80 -79.86 -54.08 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -40.05 -36.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.462 HG21 ' HE2' ' A' ' 9' ' ' TYR . 13.3 m -76.5 -41.26 47.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 13' ' ' LEU . 58.6 mt -92.45 12.82 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 4.0 p -100.31 -38.14 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.29 -175.04 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 -66.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 0.6 OUTLIER -57.01 -43.88 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -54.75 -51.02 66.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 8.5 ttt180 -69.81 -30.98 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -65.65 -35.3 80.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.709 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.3 mt-10 -80.11 -45.49 18.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.639 ' CE1' ' CE2' ' A' ' 9' ' ' TYR . 77.3 t80 -60.92 -21.32 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.69 -46.15 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.709 HG22 ' HA ' ' A' ' 67' ' ' GLU . 2.7 t -65.7 -34.24 77.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HG ' HG23 ' A' ' 70' ' ' THR . 28.7 mt -95.02 -39.34 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 90.29 139.63 7.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.531 ' O ' HG23 ' A' ' 77' ' ' THR . 10.5 t60 -42.09 -45.77 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -51.36 -37.97 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -100.4 -65.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' ALA . 66.1 t80 -34.69 -40.91 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -129.87 75.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -107.86 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.26 153.3 6.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -151.35 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.59 -143.71 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -51.07 132.78 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -154.24 136.7 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.44 -93.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 91.46 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -128.23 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -85.38 171.31 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -114.63 122.62 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -64.77 115.8 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.74 53.5 4.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.3 t -89.39 95.11 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' SER . 68.2 p -35.89 -53.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.26 -119.88 6.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 m -105.55 153.14 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.6 m-85 -40.59 -61.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' TYR . 25.6 m-85 -34.98 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 10.8 t0 -79.7 -52.34 8.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.11 -42.41 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.838 ' O ' HD11 ' A' ' 31' ' ' LEU . 87.6 mt -81.13 -39.15 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 29.26 8.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.59 153.23 47.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.714 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.506 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.71 162.04 43.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -28.27 69.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -102.84 17.18 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -55.47 132.29 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.1 m -78.22 149.87 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.7 tt0 -35.85 -45.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -60.6 -44.12 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' SER . 39.1 mt-30 -60.74 -42.25 96.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -67.36 -50.61 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -61.92 -35.25 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.04 -49.73 22.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.15 89.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.757 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.3 t80 -64.03 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' PHE . 4.9 m170 -35.45 -59.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -51.95 -46.79 64.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 13' ' ' LEU . 55.8 mt -57.71 -57.15 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -39.8 -37.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.2 mmt -72.91 -36.21 67.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.5 ttpt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 98.1 m-85 -122.41 24.72 9.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.4 t-80 -61.18 125.13 83.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.73 -5.31 15.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.745 2.297 . . . . 0.0 112.338 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.7 -46.12 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -80.9 -39.56 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.616 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 13.8 t-20 -77.62 137.94 38.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -113.29 51.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -138.83 154.55 72.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.2 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.18 -42.89 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -51.09 -49.75 60.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.41 -42.05 66.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.0 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 11.6 mmtm -57.04 -59.8 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 37.4 t80 -51.65 -39.32 57.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -53.72 -22.98 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -98.62 -30.45 12.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.757 HG22 ' CD1' ' A' ' 28' ' ' PHE . 4.1 mt -68.53 -44.18 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.08 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -43.74 -36.04 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.88 -41.85 86.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 46.5 t80 -71.8 -50.61 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' TYR . 52.7 mt-10 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.414 HG23 ' CZ ' ' A' ' 76' ' ' PHE . 12.8 m -68.31 -50.16 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 13' ' ' LEU . 19.0 mt -81.02 11.93 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' TYR . 30.5 t -92.27 -51.54 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -76.66 -175.0 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.49 -65.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.29 -41.02 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.13 -54.03 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.46 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -65.19 -45.27 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 70' ' ' THR . 11.5 mt-10 -70.78 -45.48 64.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 38.6 t80 -61.59 -10.24 7.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.24 -37.23 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -80.29 -21.17 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.4 mt -104.01 -48.24 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.4 -132.02 7.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -125.32 -51.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -70.93 -12.61 61.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -68.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 58' ' ' THR . 7.5 t80 -41.63 -39.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 t -128.45 70.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -99.98 82.64 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.8 -118.86 3.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -88.64 -46.54 8.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.17 115.7 0.56 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -98.95 40.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -79.48 112.49 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.72 146.23 33.71 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.4 36.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t -58.91 -60.2 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 m -47.71 162.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m 51.0 44.35 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -101.34 164.33 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.53 -177.87 1.29 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -138.13 175.13 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -146.11 162.11 38.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.65 -86.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.421 ' HA ' ' ND1' ' A' ' 73' ' ' HIS . 81.9 p -73.86 140.52 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 13.9 m-85 -41.25 -60.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 30.4 m-85 -38.54 -36.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -75.66 -49.86 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.35 -41.45 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.702 ' O ' HD11 ' A' ' 31' ' ' LEU . 89.7 mt -81.68 -43.06 19.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.39 34.25 4.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.593 HG11 ' HA ' ' A' ' 24' ' ' ILE . 4.1 m -117.35 154.3 50.29 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.619 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.73 158.75 55.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 36.6 mmtm -59.78 -26.23 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -108.26 18.37 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -53.48 137.04 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLN . 67.3 m -79.16 150.68 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -40.68 -35.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 12.3 ttm105 -73.4 -36.33 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.5 mt-30 -68.79 -35.74 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.593 ' HA ' HG11 ' A' ' 15' ' ' VAL . 20.9 mt -68.79 -58.18 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.63 -31.7 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 27.2 mmtt -68.55 -52.31 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.84 87.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.779 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.2 t80 -71.42 -53.38 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -40.66 -61.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 16.5 ptpt -52.67 -47.37 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 13' ' ' LEU . 68.7 mt -55.41 -64.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.17 -38.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.31 -49.63 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 25.0 tttm -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.1 m-85 -114.22 22.17 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.3 t-80 -67.17 124.87 90.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.2 Cg_endo -69.8 1.63 4.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 27.3 m-20 -103.44 -41.34 6.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -90.67 -35.8 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -78.9 117.78 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -90.82 49.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -136.1 142.29 39.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.08 17.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.77 -36.04 77.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.03 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.9 -36.63 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.09 -52.52 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -48.12 -52.56 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -54.09 -33.69 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.2 -22.15 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -97.28 -30.38 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.779 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -70.01 -46.84 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.32 -65.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -42.1 -43.87 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -58.47 -47.02 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 40.7 t80 -66.8 -47.29 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -39.46 -40.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.9 m -77.2 -49.45 15.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.613 HD12 HD12 ' A' ' 13' ' ' LEU . 37.8 mt -74.71 -1.36 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 82.6 p -86.25 -56.1 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.97 154.17 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.14 -70.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -50.38 -47.17 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -53.51 -56.06 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -67.34 -27.09 66.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -60.44 -45.68 92.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.568 ' HA ' HG22 ' A' ' 70' ' ' THR . 6.6 mt-10 -74.57 -44.09 52.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 84.0 t80 -60.55 -10.77 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.08 -45.02 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.3 t -73.59 -20.65 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -107.02 -42.01 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.3 -144.16 18.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 77' ' ' THR . 78.6 t60 -110.19 -61.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -63.18 -29.51 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.22 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.07 -22.39 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 73' ' ' HIS . 59.0 p -98.77 34.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -70.81 122.69 20.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.69 32.9 4.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -136.03 158.14 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -140.13 -177.38 15.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -109.05 134.26 51.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.7 m -115.98 -44.64 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.28 149.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.9 27.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -98.39 135.38 40.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.3 p -125.71 145.83 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -132.13 170.5 14.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -60.47 122.96 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -126.35 1.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -169.74 174.03 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -65.16 -72.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.68 -123.4 6.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 m -99.46 163.88 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.8 m-85 -54.02 -59.23 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -42.27 -26.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.64 -40.59 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -67.33 -47.17 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.844 ' O ' HD11 ' A' ' 31' ' ' LEU . 79.5 mt -74.89 -33.72 62.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.86 36.55 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' CG1' ' CB ' ' A' ' 27' ' ' ALA . 4.9 m -123.35 152.9 65.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.81 155.88 64.64 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -59.06 -22.0 60.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.65 18.69 20.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.549 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.62 137.23 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.5 t -82.15 151.37 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.5 tt0 -34.76 -52.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -55.1 -45.11 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.5 mm100 -59.31 -43.52 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.95 -54.07 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -57.4 -46.5 83.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -65.73 -44.32 86.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' CB ' ' CG1' ' A' ' 15' ' ' VAL . . . -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.663 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 12.7 t80 -75.7 -55.55 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -43.11 -65.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -44.84 -50.45 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.844 HD11 ' O ' ' A' ' 13' ' ' LEU . 50.3 mt -55.3 -62.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.61 -34.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.3 mmt -68.62 -48.58 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.1 tttt -63.9 -32.39 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 97.8 m-85 -113.6 21.59 14.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.94 120.95 65.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.79 0.57 5.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -100.98 -33.2 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -98.99 -39.91 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -69.3 130.45 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -107.17 56.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -145.31 143.63 20.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -17.25 37.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.27 -34.72 31.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -50.04 -41.58 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.04 65.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -50.42 -56.34 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -56.61 -31.26 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -62.44 -20.31 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -98.65 -32.02 11.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.624 HG22 ' CD1' ' A' ' 28' ' ' PHE . 1.8 mt -70.05 -47.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -66.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -43.86 -37.22 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -69.1 -43.91 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 28.1 t80 -68.44 -52.45 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' TYR . 6.3 mm-40 -35.37 -50.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -66.7 -42.76 85.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.76 HD12 HD12 ' A' ' 13' ' ' LEU . 70.9 mt -85.82 8.98 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' CZ ' ' A' ' 56' ' ' TYR . 23.1 t -99.33 -38.8 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.88 166.52 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.35 -71.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -50.33 -47.09 56.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.03 -55.61 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.26 -29.0 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -69.29 -43.07 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.696 ' HA ' HG22 ' A' ' 70' ' ' THR . 10.2 mt-10 -72.72 -44.93 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 42.8 t80 -60.69 -30.21 69.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -87.09 -44.24 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.0 t -68.6 -27.83 66.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 70' ' ' THR . 16.1 mt -104.07 -45.46 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 -155.23 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 77' ' ' THR . 85.6 t60 -92.97 -52.61 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.8 t -78.14 -40.04 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -65.29 -39.52 92.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -72.22 -39.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 73' ' ' HIS . 51.0 p -84.26 51.21 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.49 49.29 1.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -111.22 99.67 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.57 -46.76 9.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -68.03 166.8 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.6 m -138.45 159.74 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.24 83.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.763 2.309 . . . . 0.0 112.289 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.5 m -119.04 110.67 17.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -133.82 84.61 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p 40.99 46.24 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -74.7 -44.84 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -87.6 143.16 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -92.42 108.04 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.804 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.65 -58.14 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.581 ' HA ' ' CD2' ' A' ' 73' ' ' HIS . 62.3 m -104.08 155.71 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ASP . 15.1 m-30 -51.07 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' TYR . 22.0 m-85 -36.92 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -82.35 -47.19 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' TYR . 65.3 mt -59.69 -42.01 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 59' ' ' LEU . 82.8 mt -81.79 -37.56 26.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.15 32.51 7.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.68 152.34 61.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 171.28 14.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.39 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -29.6 66.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -93.27 5.21 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.46 131.28 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.5 m -83.23 154.39 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -38.81 -48.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.67 -38.86 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' SER . 13.3 mm100 -66.15 -47.08 75.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -62.36 -53.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -54.73 -45.63 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -65.31 -43.4 91.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.92 99.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.748 ' CD1' HG22 ' A' ' 52' ' ' ILE . 49.3 t80 -71.22 -55.17 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -45.25 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 10.0 ptpt -45.95 -48.6 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.693 HD11 ' O ' ' A' ' 13' ' ' LEU . 37.2 mt -56.39 -63.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.15 -34.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -68.75 -44.63 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 26.3 tttp -65.27 -36.08 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 86.6 m-85 -110.09 17.81 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.8 t-80 -58.5 119.86 39.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.2 Cg_endo -69.72 -3.55 12.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.47 -38.42 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.68 -35.39 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -75.04 121.36 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 47.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -133.52 143.05 46.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.2 8.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.09 -40.38 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -45.58 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.35 -40.98 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.49 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.74 -53.62 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.478 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 42.6 t80 -54.57 -31.24 56.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -62.86 -21.32 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -96.03 -27.16 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.748 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -73.22 -46.8 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -56.95 -64.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.07 -38.43 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.93 -46.76 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' SER . 50.9 t80 -68.79 -54.06 18.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' TYR . 7.8 mm-40 -34.47 -44.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.6 m -72.65 -48.28 40.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 13' ' ' LEU . 25.2 mt -83.09 11.78 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' TYR . 41.9 t -91.7 -53.68 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.02 -174.96 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.25 -65.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -54.23 -41.46 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -62.06 -54.87 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.99 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -65.29 -48.25 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.6 mt-10 -65.2 -48.5 73.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 59' ' ' LEU . 69.6 t80 -56.83 -13.32 2.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.62 -44.03 5.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.4 t -75.0 -15.66 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.6 mt -110.77 -42.83 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.89 -179.16 25.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 8' ' ' SER . 38.1 t-80 -87.64 -1.8 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -104.28 -25.07 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.04 -55.94 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -48.55 -27.21 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 p -94.62 48.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.6 p -84.12 107.18 16.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.36 -80.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -120.78 106.13 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.325 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.69 -158.0 10.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' SER . 12.8 tm0? -128.39 138.08 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.7 p -34.59 143.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -160.91 75.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.19 8.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -61.04 124.98 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.2 p -69.38 139.23 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -86.14 91.42 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -111.11 147.39 34.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.83 93.78 0.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -100.86 138.4 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 p -79.84 161.93 25.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.75 -74.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -99.36 158.08 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 17.5 m-85 -50.93 -60.26 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 31.7 m-85 -39.18 -33.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.13 -44.91 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.59 -42.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.731 HD12 HD12 ' A' ' 59' ' ' LEU . 96.7 mt -82.32 -36.37 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.05 36.68 5.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 4.1 m -120.87 153.45 57.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.597 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.83 159.83 51.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 26.8 mmtp -60.59 -23.65 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.52 19.33 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.597 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.15 129.27 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.1 t -76.46 154.16 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 15.5 tt0 -37.25 -53.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -54.91 -42.12 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.8 mt-30 -62.97 -43.48 98.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -67.85 -44.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -66.04 -38.35 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -70.88 -48.05 55.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.98 93.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.715 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.1 t80 -71.18 -54.22 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -42.95 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -43.31 -51.12 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 13' ' ' LEU . 49.8 mt -54.37 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -36.24 -34.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' LEU . 14.4 mmt -70.93 -46.69 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 29.5 tttt -63.96 -29.27 70.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.57 ' CE1' ' HD3' ' A' ' 48' ' ' LYS . 97.3 m-85 -119.81 24.45 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.7 t-80 -65.3 121.35 74.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.26 3.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.71 2.274 . . . . 0.0 112.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -109.23 -30.67 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -99.82 -38.8 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -72.54 -37.24 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.11 42.28 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -122.6 153.67 62.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.696 0.76 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -36.25 11.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -35.98 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.68 80.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.75 -46.88 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.19 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -48.33 -62.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 53' ' ' ALA . 47.8 t80 -52.31 -36.05 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.86 -21.74 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -100.26 -30.72 11.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.653 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -72.65 -43.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.43 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -45.54 -37.11 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.84 -39.05 90.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.715 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 41.5 t80 -74.31 -51.07 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -37.71 -48.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.6 m -66.06 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.731 HD12 HD12 ' A' ' 13' ' ' LEU . 14.3 mt -82.72 12.53 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' TYR . 13.6 t -91.64 -53.29 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.66 -175.0 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.78 -65.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -55.11 -44.02 74.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -57.78 -54.83 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.63 -29.5 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -66.18 -49.5 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.744 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.6 mt-10 -66.87 -36.89 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 59' ' ' LEU . 80.0 t80 -63.0 -32.74 74.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.63 -45.76 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.744 HG22 ' HA ' ' A' ' 67' ' ' GLU . 4.3 t -65.91 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 70' ' ' THR . 18.7 mt -102.54 -51.12 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.93 -138.58 11.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -113.72 -44.41 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -75.34 -40.14 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.88 -50.48 13.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -52.55 -33.93 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -84.54 50.21 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 t -98.07 114.8 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.19 -43.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -124.59 96.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.82 -140.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 58.33 40.74 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.1 t -114.43 -51.07 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.5 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 152.69 69.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.6 t -119.61 147.36 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.4 p -65.61 -46.23 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -101.98 41.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p 44.64 39.85 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.88 125.33 3.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -59.9 -57.37 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -120.44 121.5 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.66 -75.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -81.06 145.29 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' TYR . 14.0 m-30 -40.65 -60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' TYR . 23.0 m-85 -34.83 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.7 t70 -79.06 -47.9 15.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' TYR . 59.1 mt -57.1 -40.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.757 ' O ' HD11 ' A' ' 31' ' ' LEU . 79.0 mt -83.68 -39.96 19.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.27 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.43 152.6 51.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.594 0.711 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.504 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.83 159.64 52.61 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -29.43 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -99.76 17.2 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -60.04 141.62 55.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -85.01 159.02 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 24' ' ' ILE . 17.7 tt0 -49.18 -45.55 44.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -64.65 -28.77 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -76.76 -33.62 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 59' ' ' LEU . 20.8 mt -71.21 -57.03 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.8 pttp -54.31 -43.0 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 15.4 mtmt -63.17 -52.49 62.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.63 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.758 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.1 t80 -71.26 -49.24 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -45.29 -63.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -46.99 -42.82 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 13' ' ' LEU . 76.7 mt -62.73 -62.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.86 -34.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.46 -41.14 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.0 tttp -68.93 -26.75 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -121.76 24.14 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -66.44 124.83 89.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.79 0.87 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -104.45 -42.55 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -89.14 -35.92 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 32.6 t-20 -79.7 110.12 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.14 43.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.1 m -131.85 144.09 51.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.3 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -46.71 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -43.89 -48.08 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.19 -45.25 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.51 78.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -54.59 -57.6 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.9 -39.53 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -52.53 -23.87 7.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -96.93 -29.21 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.758 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.2 mt -71.31 -47.46 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.21 -66.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -40.92 -42.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -58.1 -46.18 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.627 ' HD1' HG22 ' A' ' 24' ' ' ILE . 73.6 t80 -71.63 -52.96 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.8 mm-40 -34.45 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 m -74.66 -48.01 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 24' ' ' ILE . 11.6 mt -84.2 11.32 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 56' ' ' TYR . 5.1 p -90.79 -60.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' OG ' ' A' ' 60' ' ' SER . 1.6 t70 -69.56 -177.57 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.16 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -55.14 -42.74 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -58.37 -56.25 24.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -63.15 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -39.09 87.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.695 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.3 mt-10 -72.63 -50.28 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 73' ' ' HIS . 48.5 t80 -59.23 -20.1 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.89 -40.17 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.695 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -75.92 -21.0 57.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.23 -42.05 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' HIS . . . 98.58 136.12 9.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 77' ' ' THR . 14.5 t60 -36.8 -47.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -54.9 -58.36 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -72.95 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 49.8 t80 -34.78 -38.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 73' ' ' HIS . 69.6 p -84.82 48.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.3 p -98.44 132.99 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -43.3 1.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.64 83.19 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.16 42.14 2.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -111.53 85.9 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.2 p -153.42 143.26 22.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.73 143.53 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.6 p -169.57 157.3 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 t -137.18 123.8 21.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 -47.94 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -127.8 115.77 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.96 148.36 18.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -95.96 113.22 24.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -54.26 150.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 -47.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 t -122.54 162.63 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 18.6 m-85 -61.86 -53.06 60.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -44.75 -24.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -47.75 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -57.75 -38.94 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 31' ' ' LEU . 95.5 mt -86.22 -42.75 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.78 35.23 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.67 155.15 50.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.75 160.15 50.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.56 -25.93 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -108.01 20.64 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.42 152.38 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.2 t -103.43 156.35 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -41.2 -43.42 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -60.42 -37.5 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' SER . 43.6 mt-30 -76.17 -44.17 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 59' ' ' LEU . 46.5 mt -63.41 -38.3 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.36 -30.26 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -77.08 -51.07 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -59.17 -36.87 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.0 t80 -75.1 -58.32 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -42.46 -60.52 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 9.4 ptmt -50.03 -49.85 49.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 13' ' ' LEU . 32.1 mt -56.5 -63.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.09 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.0 mmt -68.75 -48.37 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.1 ttmt -62.11 -34.09 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 98.4 m-85 -115.32 24.98 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.0 t-80 -63.89 120.76 66.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.81 -2.77 10.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -103.21 -35.37 8.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -91.97 -37.98 12.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -74.97 129.01 36.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -97.89 40.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.3 145.55 55.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.68 0.752 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.45 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -42.49 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.13 -47.75 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.21 -44.25 10.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.42 83.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.34 -57.5 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.71 -31.43 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -59.16 -22.06 60.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.08 -30.94 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.626 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.1 mt -71.48 -46.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.4 -60.5 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -49.05 -33.4 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -68.41 -37.64 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.63 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.7 t80 -76.46 -47.27 23.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -38.9 -50.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.478 HG21 ' CD2' ' A' ' 68' ' ' TYR . 26.2 m -66.85 -49.54 65.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 13' ' ' LEU . 60.7 mt -77.36 6.15 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 21.9 t -94.28 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.46 161.27 28.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -71.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -49.33 -45.6 45.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -58.02 -56.42 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -61.43 -29.97 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -69.39 -48.49 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.621 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.7 mt-10 -67.06 -49.68 64.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 39.2 t80 -55.57 -16.36 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -98.81 -43.85 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.9 t -74.01 -17.35 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' HG ' HG23 ' A' ' 70' ' ' THR . 21.8 mt -111.12 -51.18 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.39 -147.26 17.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -111.44 -38.59 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -79.04 -25.43 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -93.05 -63.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 77' ' ' THR . 21.7 t80 -36.31 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.5 ' N ' ' CD1' ' A' ' 76' ' ' PHE . 4.9 t -98.12 51.24 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 p -54.33 141.62 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.65 -151.16 19.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -169.64 129.44 1.0 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.57 169.71 25.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -122.44 85.37 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.6 p -123.4 88.49 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.46 145.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.4 13.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.0 p -82.72 41.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m 48.95 41.14 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -138.17 -178.81 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -158.77 171.19 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.43 92.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -40.51 -50.82 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -84.26 -49.54 8.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.47 -114.73 5.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.5 m -115.31 162.99 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.648 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 18.6 m-85 -55.3 -58.01 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 34.9 m-85 -41.65 -31.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.19 -47.13 15.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.496 HG21 ' HG3' ' A' ' 51' ' ' GLU . 64.1 mt -60.81 -45.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.798 HD12 HD12 ' A' ' 59' ' ' LEU . 90.1 mt -76.85 -33.58 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.61 35.28 7.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG13 ' CB ' ' A' ' 27' ' ' ALA . 2.4 m -120.81 156.17 56.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.635 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.77 159.71 52.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 73.1 mmtt -60.42 -25.63 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -110.99 24.39 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.635 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -60.39 138.78 57.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.8 t -84.13 157.79 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -43.56 -40.54 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.34 -45.62 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.03 -39.8 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.5 HD13 ' O ' ' A' ' 59' ' ' LEU . 21.0 mt -67.94 -52.56 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -57.0 -44.97 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -68.49 -51.62 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 15' ' ' VAL . . . -54.71 -39.46 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.735 ' CD1' HG22 ' A' ' 52' ' ' ILE . 13.3 t80 -75.75 -51.74 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -42.8 -60.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 18.9 ptpt -51.55 -44.78 62.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD11 ' O ' ' A' ' 13' ' ' LEU . 55.7 mt -59.97 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.34 -37.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -68.02 -43.96 77.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.4 ttmm -64.47 -37.76 88.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.502 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 84.2 m-85 -109.86 22.86 15.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.1 t-80 -65.67 137.65 96.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.66 -51.83 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.27 -41.51 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -85.38 125.05 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -91.86 16.31 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' ' 45' ' ' ALA . 94.5 p -101.42 147.07 33.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -45.96 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -36.68 72.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.508 ' HB2' ' OG ' ' A' ' 42' ' ' SER . . . -45.99 -56.53 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.43 -40.93 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -52.6 59.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 20.6 mmmt -47.68 -53.98 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.69 -32.21 59.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.93 -21.59 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.496 ' HG3' HG21 ' A' ' 12' ' ' ILE . 1.4 pt-20 -97.04 -31.5 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.735 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.3 mt -70.64 -49.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -54.32 -59.89 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -48.52 -40.9 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 30.0 t80 -67.93 -53.41 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' TYR . 42.6 mt-10 -34.43 -48.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.3 m -68.15 -41.56 81.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.798 HD12 HD12 ' A' ' 13' ' ' LEU . 22.2 mt -91.01 14.26 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 28.1 t -94.47 -51.16 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.99 -174.94 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.34 -66.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -55.42 -45.84 76.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -55.36 -53.45 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.42 -35.6 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.732 ' HA ' HG22 ' A' ' 70' ' ' THR . 9.8 mt-10 -74.03 -45.82 47.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.648 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 48.9 t80 -63.62 -12.8 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.29 -35.24 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.732 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.2 t -79.8 -23.34 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 28.7 mt -103.77 -48.3 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.69 167.87 13.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -65.76 -49.05 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -75.55 -28.35 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -78.85 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -47.51 -40.23 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 p -82.76 48.39 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.4 m -126.53 38.38 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.83 171.33 13.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -142.07 160.84 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.28 -109.89 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.31 112.87 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -90.72 142.83 27.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 107.73 95.79 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 53.8 Cg_endo -69.78 -35.42 12.61 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.0 t -140.96 105.35 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 m -75.01 96.81 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t 60.15 42.59 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -79.14 163.32 25.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.85 49.77 0.82 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -66.93 163.7 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.3 p -150.0 128.11 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.02 -80.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 14.8 m -95.96 156.15 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 8.3 m-30 -46.5 -62.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' CG ' ' HE3' ' A' ' 17' ' ' LYS . 28.8 m-85 -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -46.71 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.81 -38.24 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD12 HD12 ' A' ' 59' ' ' LEU . 93.8 mt -89.97 -37.77 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.15 28.24 8.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.01 153.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.081 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.502 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.81 159.13 54.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.622 2.215 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HE3' ' CG ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.63 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -101.71 18.83 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -55.23 138.51 44.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 t -85.07 147.82 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.4 tt0 -35.54 -42.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -60.79 -45.9 92.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' SER . 46.3 mt-30 -65.11 -44.49 88.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 59' ' ' LEU . 25.8 mt -56.46 -57.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 8.5 ptmt -64.32 -33.08 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.41 -52.2 62.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.71 85.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.756 ' CD1' HG22 ' A' ' 52' ' ' ILE . 19.8 t80 -59.33 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 5.1 m80 -36.86 -66.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -43.97 -51.65 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.9 mt -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.77 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' LEU . 13.2 mmt -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 7.4 tmtm? -64.09 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.654 ' CD2' HD11 ' A' ' 52' ' ' ILE . 72.5 m-85 -104.03 11.4 35.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' ALA . 9.7 t-80 -54.45 129.1 61.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.8 24.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -97.0 -25.0 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -49.41 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 45' ' ' ALA . 4.9 m-20 -73.26 106.73 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -82.58 49.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -135.48 152.63 76.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.802 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.97 9.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -40.43 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -47.67 -54.44 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -46.97 -51.1 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 1.8 mmpt? -46.93 -58.96 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -51.32 -36.87 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -53.25 -25.41 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -97.25 -28.19 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.756 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.5 mt -71.45 -43.87 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.29 -67.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -38.86 -47.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -55.18 -40.35 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.583 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 58.4 t80 -74.6 -47.59 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.56 -49.23 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.3 m -64.53 -55.1 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.619 ' O ' HD13 ' A' ' 24' ' ' ILE . 71.7 mt -69.78 -8.44 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 2.5 m -82.48 -55.2 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.68 175.59 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -70.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.18 -34.27 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -70.05 -53.47 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -64.43 -29.67 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -77.17 -59.37 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.683 ' HA ' HG22 ' A' ' 70' ' ' THR . 4.6 mm-40 -51.75 -31.33 26.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 32.8 t80 -75.47 -22.77 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.31 -26.28 15.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.683 HG22 ' HA ' ' A' ' 67' ' ' GLU . 5.9 t -85.02 -37.79 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.518 ' HG ' HG23 ' A' ' 70' ' ' THR . 11.5 mt -91.5 -40.81 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.55 -171.31 14.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 57.6 t60 -86.33 -42.59 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -82.6 -32.67 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -72.39 -58.72 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -54.31 -27.73 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.7 p -90.26 51.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -106.36 83.3 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.03 -64.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -116.06 83.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.01 -161.75 9.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -158.71 154.46 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -90.54 -49.73 6.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.55 79.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 162.4 42.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.1 t -149.83 142.68 24.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -87.9 140.95 28.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -82.85 145.16 29.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -45.7 139.38 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.23 54.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.68 155.86 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 12' ' ' ILE . 82.9 p -80.07 -46.61 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.04 -103.37 1.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 m -124.02 155.61 37.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.537 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 14.9 m-30 -50.45 -61.25 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.76 -36.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.22 -43.04 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 6' ' ' SER . 75.2 mt -61.89 -47.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.769 ' O ' HD11 ' A' ' 31' ' ' LEU . 61.6 mt -75.6 -36.08 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.44 33.23 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 24' ' ' ILE . 9.4 m -116.87 154.19 49.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.536 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.72 156.89 62.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 32.1 mmtm -56.2 -33.92 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -101.12 22.44 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.98 141.52 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 57.6 m -91.4 148.79 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' SER . 21.0 tt0 -36.11 -34.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.2 ttm180 -66.71 -49.76 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 51.3 mt-30 -65.08 -38.36 90.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.541 ' HA ' HG11 ' A' ' 15' ' ' VAL . 23.4 mt -59.35 -56.6 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -32.33 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -65.9 -49.63 67.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.06 86.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.775 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.1 t80 -62.42 -64.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' PHE . 6.7 m80 -36.24 -58.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -52.72 -46.75 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.769 HD11 ' O ' ' A' ' 13' ' ' LEU . 45.7 mt -59.19 -60.4 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -34.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.1 mmt -68.88 -46.05 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.0 tttp -67.12 -27.89 67.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 97.3 m-85 -118.15 24.04 11.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.6 t-80 -66.87 122.63 83.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.7 -0.42 6.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.2 m-20 -105.28 -33.24 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -96.51 -39.39 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 17.9 t-20 -76.12 115.75 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.49 42.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 142.27 44.45 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.83 29.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.66 -35.1 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -55.27 -40.64 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.41 -41.84 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.6 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 26.9 mmmt -50.1 -55.35 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.5 -37.57 57.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -55.83 -22.06 22.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.69 -31.8 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.775 HG22 ' CD1' ' A' ' 28' ' ' PHE . 4.9 mt -67.29 -44.47 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.99 -67.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -40.29 -40.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -60.89 -45.2 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLU . 41.9 t80 -69.27 -58.13 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 63.1 mm-40 -34.49 -49.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 m -66.87 -49.36 65.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 9' ' ' TYR . 60.2 mt -78.1 6.36 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' TYR . 33.0 t -94.87 -47.97 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.1 157.11 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.12 -66.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -51.74 -45.83 63.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -55.65 -57.54 11.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -62.32 -33.05 73.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -61.24 -37.61 83.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.564 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.0 mt-10 -79.75 -44.33 20.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -61.96 -19.25 62.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.66 -40.09 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -77.48 -23.34 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -104.11 -52.01 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.04 -147.76 16.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -113.1 -24.01 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -96.51 -25.96 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.04 -49.77 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -52.07 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 77' ' ' THR . 4.4 t -105.4 71.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -92.86 164.03 13.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.46 -39.31 2.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -68.35 -57.78 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.7 -135.25 15.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -157.09 149.35 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 m -69.17 -65.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.81 83.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.59 3.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -81.92 145.52 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -131.47 156.24 45.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -87.22 142.16 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.47 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.5 m-30 -45.17 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.581 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 28.5 m-85 -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -77.07 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.652 HG21 ' HG3' ' A' ' 51' ' ' GLU . 76.1 mt -57.73 -37.87 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.672 HD12 HD12 ' A' ' 59' ' ' LEU . 95.5 mt -86.68 -35.99 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.81 32.26 9.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 24' ' ' ILE . 2.5 m -114.82 152.54 46.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.85 163.78 37.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 38.5 mmtm -65.11 -24.07 67.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.35 18.53 20.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.73 133.04 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.0 t -73.72 148.42 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -40.42 -44.13 1.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.432 ' NH1' ' HG3' ' A' ' 23' ' ' GLN . 5.2 ptm180 -64.05 -36.23 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' SER . 49.9 mt-30 -69.09 -46.18 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.597 ' HA ' HG11 ' A' ' 15' ' ' VAL . 43.7 mt -55.83 -62.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 14.6 ptpt -56.48 -37.72 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -60.41 -51.79 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.2 t80 -51.7 -63.54 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' PHE . 7.8 m-70 -34.4 -63.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -46.02 -49.34 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 13' ' ' LEU . 60.6 mt -57.93 -63.53 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -36.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmt -67.0 -44.32 80.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.4 tttp -67.58 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -117.13 16.14 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.9 t-80 -71.08 138.75 84.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -26.8 27.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 0.8 OUTLIER -71.62 -30.88 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -102.97 -57.3 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.612 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 4.7 t-20 -58.79 129.77 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -88.64 -44.92 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -46.88 143.77 4.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.701 0.762 . . . . 0.0 110.814 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.78 24.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -36.12 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.612 ' HB2' ' CG ' ' A' ' 40' ' ' ASN . . . -44.89 -58.45 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -45.67 -47.01 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -51.35 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -48.83 -52.17 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.96 -26.5 36.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.67 -19.33 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HG3' HG21 ' A' ' 12' ' ' ILE . 4.8 pt-20 -99.94 -31.63 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.8 mt -68.65 -45.71 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.68 -66.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -42.2 -38.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -63.82 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 53.3 t80 -70.7 -54.61 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.2 mt-10 -34.69 -47.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 m -68.02 -49.36 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.672 HD12 HD12 ' A' ' 13' ' ' LEU . 47.3 mt -81.58 12.54 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' TYR . 17.7 p -95.15 -47.69 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.1 -175.0 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 -66.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -57.26 -44.79 84.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -54.14 -48.08 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.06 -31.95 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -64.08 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.641 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.2 mt-10 -73.1 -47.62 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 27.6 t80 -62.16 -8.56 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.4 -27.45 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 67' ' ' GLU . 4.2 t -91.07 -22.31 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.0 mt -104.12 -47.63 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.24 -178.73 17.21 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 83.7 t60 -69.7 -66.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 p -67.56 -26.6 66.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -72.0 -56.58 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 9.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -106.76 160.28 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.365 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ASP . 14.3 m-30 -56.69 -59.71 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -39.06 -28.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -85.53 -48.43 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.81 -41.05 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.777 ' O ' HD11 ' A' ' 31' ' ' LEU . 69.8 mt -82.22 -44.35 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.66 37.3 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.49 151.79 73.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 165.77 29.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -66.28 -29.78 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.5 p -93.88 9.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' O ' ' NH2' ' A' ' 65' ' ' ARG . . . -51.27 136.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -90.84 160.84 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.18 -55.47 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 23' ' ' GLN . 10.3 ptm180 -52.04 -39.75 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.0 mm100 -67.67 -49.44 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 59' ' ' LEU . 21.0 mt -60.69 -40.48 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -64.5 -53.35 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -59.35 -45.51 91.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.85 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.75 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.2 t80 -66.62 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -38.77 -63.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -48.06 -48.47 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.777 HD11 ' O ' ' A' ' 13' ' ' LEU . 35.5 mt -56.66 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -37.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.9 mmt -65.71 -49.08 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.6 tmtm? -63.92 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.696 ' CD2' HD11 ' A' ' 52' ' ' ILE . 80.7 m-85 -110.08 16.07 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 14.2 t-80 -65.75 135.09 95.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -14.49 36.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.307 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.07 -47.62 8.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -80.86 -43.05 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -74.58 118.33 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -94.07 43.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -132.44 152.38 79.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.44 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -54.27 -41.81 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.51 -53.52 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.16 -46.26 34.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -53.36 49.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 4.3 mmmm -42.83 -55.11 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.52 -38.97 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -55.19 -23.13 20.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.75 -26.85 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.75 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.6 mt -71.4 -43.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.95 -64.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -44.38 -36.96 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.93 -39.11 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.676 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 31.2 t80 -76.75 -50.02 14.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -39.64 -46.41 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 m -69.8 -45.94 66.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.556 HD12 HD12 ' A' ' 13' ' ' LEU . 36.2 mt -85.51 13.46 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.553 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 29.1 t -97.91 -46.3 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -83.46 -174.98 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.71 -65.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.89 -46.79 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -50.57 -47.2 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 21.0 ttt180 -72.4 -37.98 68.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -59.76 -42.56 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.677 ' HA ' HG22 ' A' ' 70' ' ' THR . 10.2 mt-10 -72.66 -35.79 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.454 ' CE2' HD21 ' A' ' 59' ' ' LEU . 50.6 t80 -66.73 -24.37 66.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -94.86 -43.71 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.677 HG22 ' HA ' ' A' ' 67' ' ' GLU . 2.3 t -68.77 -27.88 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' A' ' 70' ' ' THR . 24.0 mt -101.33 -51.13 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.28 -136.29 10.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 67.2 t60 -124.74 -38.41 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 t -73.68 -18.19 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.02 -67.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.6 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -98.84 145.94 26.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.528 ' HE2' HG21 ' A' ' 58' ' ' THR . 16.8 m-30 -47.84 -67.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CD2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m-85 -36.49 -38.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -46.13 45.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' TYR . 70.2 mt -61.76 -35.99 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.735 HD12 HD12 ' A' ' 59' ' ' LEU . 88.9 mt -87.73 -36.54 17.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.51 34.49 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 m -116.57 154.72 49.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.75 161.42 45.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -62.23 -22.93 66.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -109.32 18.14 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.555 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -55.29 130.21 41.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.1 m -78.5 147.41 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' SER . 32.1 tt0 -35.3 -50.21 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 29.6 ttp180 -54.74 -43.32 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' SER . 35.6 mt-30 -65.87 -48.02 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 56' ' ' TYR . 26.6 mt -51.38 -60.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.3 pttt -62.3 -35.38 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 20.5 mmtm -60.69 -44.85 96.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.53 61.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.768 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.1 t80 -60.18 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -40.78 -59.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -54.55 -46.99 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 13' ' ' LEU . 28.5 mt -55.92 -62.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.28 -38.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mmt -67.21 -40.21 86.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' LEU . 23.2 ttmt -68.79 -30.81 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 92.3 m-85 -113.91 20.11 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 10.9 t-80 -68.61 136.62 90.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -80.64 -46.9 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -78.99 -47.24 16.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.19 -40.13 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm 50.46 49.25 21.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -135.79 151.79 74.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -44.99 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 -37.55 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.35 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -47.5 -46.3 27.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.08 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -48.68 -52.89 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.83 -35.35 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -57.76 -23.07 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.26 -23.2 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.768 HG22 ' CD1' ' A' ' 28' ' ' PHE . 8.5 mt -74.89 -48.62 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -59.79 -66.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.42 -41.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.63 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 81.8 t80 -64.64 -53.98 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' TYR . 79.9 mm-40 -37.97 -44.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.528 HG21 ' HE2' ' A' ' 9' ' ' TYR . 57.4 m -72.65 -41.54 65.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.735 HD12 HD12 ' A' ' 13' ' ' LEU . 77.7 mt -82.92 0.2 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' TYR . 52.4 p -89.81 -48.88 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.17 157.92 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.18 -70.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.13 -49.1 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -51.84 -54.01 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -71.8 -38.04 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.5 mt-10 -77.48 -42.18 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 59' ' ' LEU . 41.6 t80 -59.81 -25.86 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.39 -47.53 7.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.5 t -67.78 -24.95 65.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' HG ' HG23 ' A' ' 70' ' ' THR . 56.9 mt -106.54 -49.53 3.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -140.97 15.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.404 ' NE2' ' O ' ' A' ' 7' ' ' GLY . 84.0 t60 -114.53 -52.72 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -62.37 -36.7 83.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.05 -63.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -97.95 155.14 17.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 16.0 m-30 -50.55 -52.7 36.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -41.16 -30.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.0 -48.17 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.39 -46.19 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 59' ' ' LEU . 79.1 mt -76.98 -40.33 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.27 35.92 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.84 152.41 62.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 159.75 52.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.412 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -59.38 -30.23 68.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -105.72 22.36 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.24 141.32 41.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLN . 73.0 m -80.87 148.1 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -39.76 -48.33 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.15 -38.93 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.7 mt-30 -64.55 -42.24 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.561 HG21 ' O ' ' A' ' 59' ' ' LEU . 48.4 mt -63.13 -60.17 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -40.06 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -67.3 -48.9 66.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.442 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -60.38 -38.88 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.1 t80 -71.84 -58.82 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -44.38 -62.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 10.8 ptmt -48.75 -49.65 37.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.732 HD11 ' O ' ' A' ' 13' ' ' LEU . 26.5 mt -56.21 -65.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -33.91 -37.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.1 mmt -66.06 -48.28 71.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -63.79 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.525 ' CD2' HD11 ' A' ' 52' ' ' ILE . 88.7 m-85 -111.11 19.12 18.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' ALA . 15.1 t-80 -68.02 134.57 91.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 -29.29 24.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -76.69 -51.7 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -74.59 -45.25 46.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 11.9 t-20 -83.1 139.28 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -117.53 73.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -150.34 149.85 27.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.702 0.763 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -27.22 27.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -32.83 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.71 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.87 -50.1 36.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.98 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -45.36 -56.4 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 31.6 t80 -53.06 -40.57 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -53.28 -22.07 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.63 -26.63 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.666 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.9 mt -75.62 -44.6 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.96 -65.54 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -43.88 -39.24 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.74 -42.09 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.695 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 25.8 t80 -70.31 -51.05 33.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 27.9 mt-10 -34.46 -49.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.4 m -66.77 -50.09 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 13' ' ' LEU . 21.4 mt -82.7 14.94 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' TYR . 11.3 t -94.18 -53.6 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -79.26 177.5 8.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.77 -67.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -53.59 -48.87 68.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -51.42 -51.79 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 17' ' ' LYS . 2.0 tmt_? -70.78 -26.8 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -71.0 -38.29 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.722 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.9 mt-10 -77.07 -37.28 54.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -62.6 -20.41 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.66 -34.62 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.4 t -82.92 -21.28 34.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 70' ' ' THR . 30.2 mt -108.78 -47.2 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.04 -141.17 16.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -123.74 -20.5 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.9 p -84.8 -25.18 28.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.14 -60.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 46.3 m -98.46 154.55 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 17.5 m-85 -43.24 -57.82 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CD2' ' CD ' ' A' ' 17' ' ' LYS . 28.0 m-85 -34.4 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.8 t70 -78.1 -50.49 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.487 HG21 ' O ' ' A' ' 51' ' ' GLU . 42.7 mt -57.2 -36.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 59' ' ' LEU . 94.8 mt -87.25 -34.03 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.18 30.24 13.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 24' ' ' ILE . 2.7 m -115.24 155.32 47.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.8 166.47 27.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.618 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 29.5 mmtp -67.03 -21.87 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -109.96 17.6 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -55.0 132.37 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' GLN . 22.6 t -78.39 150.0 33.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.06 -44.61 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.5 tpt180 -64.2 -35.29 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.1 mt-30 -71.19 -43.81 66.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.502 ' HA ' HG11 ' A' ' 15' ' ' VAL . 38.5 mt -59.58 -63.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 15.0 ptmt -56.17 -30.77 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 13.4 mmtm -67.69 -51.54 48.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.73 87.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.792 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.2 t80 -64.08 -58.35 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -40.13 -62.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -50.61 -47.42 58.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 13' ' ' LEU . 39.6 mt -56.44 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.27 -37.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -66.35 -42.74 87.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.4 ttmm -66.34 -34.85 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -110.62 21.03 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.503 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 15.3 t-80 -66.48 139.47 96.14 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.75 -43.25 2.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.7 -54.64 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -66.79 -53.15 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 7.6 t-20 -71.77 124.03 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -97.4 38.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -125.52 152.37 71.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -46.52 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.412 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -47.45 -54.75 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -47.75 -43.94 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.77 37.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -45.93 -50.31 14.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.75 -28.49 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.36 -17.06 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 12' ' ' ILE . 18.3 mt-10 -101.62 -24.51 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.792 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -76.8 -46.03 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.17 -62.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -45.9 -36.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.31 -41.92 89.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.67 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 80.9 t80 -74.49 -52.17 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 80.8 mm-40 -34.44 -39.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.2 m -77.93 -51.83 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 13' ' ' LEU . 41.3 mt -77.18 4.88 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 97.3 p -93.86 -52.6 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.18 159.72 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.81 -71.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -49.52 -45.58 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -57.71 -56.32 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -62.8 -29.51 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -66.87 -50.63 61.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' HG22 ' A' ' 70' ' ' THR . 14.5 mt-10 -65.32 -38.12 89.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 45.1 t80 -66.73 -12.6 59.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.8 -39.4 7.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.8 t -77.23 -20.19 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HG ' HG23 ' A' ' 70' ' ' THR . 11.5 mt -107.78 -45.91 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.8 -141.7 15.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 58.5 t60 -115.63 -47.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -71.54 -31.87 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.05 -51.49 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.3 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.45 141.33 36.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.601 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 15.2 m-30 -41.72 -62.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HD1' HG23 ' A' ' 15' ' ' VAL . 19.8 m-85 -34.5 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' TYR . 6.5 t70 -78.98 -49.52 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.6 mt -59.69 -40.05 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.79 ' O ' HD11 ' A' ' 31' ' ' LEU . 75.5 mt -80.72 -39.75 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.91 37.42 4.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' HD1' ' A' ' 10' ' ' TYR . 3.5 m -122.77 155.29 63.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.25 46.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 48.8 mmtt -61.95 -26.89 68.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -100.18 13.82 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.85 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 m -83.03 152.42 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' SER . 19.3 tt0 -37.51 -50.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 13.2 ptp180 -57.67 -41.52 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 75.3 mt-30 -63.38 -45.33 91.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.05 -45.76 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.68 -57.68 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 1.1 mptm? -56.25 -42.91 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.72 94.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.797 ' CD1' HG22 ' A' ' 52' ' ' ILE . 50.9 t80 -71.59 -57.06 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -42.51 -66.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -46.45 -50.47 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.79 HD11 ' O ' ' A' ' 13' ' ' LEU . 48.3 mt -53.45 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.09 -35.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.67 -41.49 75.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 18.1 ttmt -67.95 -29.12 68.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.5 m-85 -117.1 21.29 13.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ALA . 12.6 t-80 -67.02 137.09 94.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.7 -25.41 28.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -83.6 -50.21 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -70.89 -42.71 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -83.29 134.58 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -101.59 30.19 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.86 31.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.08 15.3 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.89 -35.91 77.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.51 -50.93 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -48.12 -46.9 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.08 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -46.06 -56.33 5.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.52 -41.51 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 13.6 tpt85 -53.41 -25.79 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -93.37 -24.38 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.7 mt -74.91 -44.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -62.96 -64.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -39.7 -40.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -68.19 -39.42 82.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 52.3 t80 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -37.05 -42.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.462 HG21 ' HE2' ' A' ' 9' ' ' TYR . 30.9 m -73.57 -42.91 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 13' ' ' LEU . 33.3 mt -90.35 13.77 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 9.8 p -95.27 -50.03 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.76 -176.54 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.64 -67.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.07 -47.05 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -52.38 -49.63 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.27 -30.53 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -68.21 -26.13 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HA ' HG22 ' A' ' 70' ' ' THR . 23.2 mt-10 -86.48 -50.39 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 22.0 t80 -54.89 -14.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.27 -48.66 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.461 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 1.3 t -69.47 -19.84 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 18.4 mt -113.3 -42.37 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 87.1 147.09 11.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 8.7 t60 -48.99 -34.74 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -60.01 -32.65 71.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -108.58 -61.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' ALA . 33.1 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -103.99 166.55 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -61.16 -57.66 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 17' ' ' LYS . 28.0 m-85 -40.87 -28.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.09 -46.45 10.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 51' ' ' GLU . 96.3 mt -60.1 -45.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.859 HD12 HD12 ' A' ' 59' ' ' LEU . 86.6 mt -78.72 -35.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.91 33.11 7.16 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.47 154.05 59.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.509 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 mptt -65.48 -27.16 68.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -105.24 18.23 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -54.59 138.78 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.2 t -83.87 148.13 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 31.2 tt0 -35.7 -50.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -55.84 -43.65 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 20' ' ' SER . 6.1 mt-30 -63.39 -46.86 84.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.53 -51.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -61.05 -46.74 89.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.39 -41.24 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.77 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.733 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -60.98 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' PHE . 5.3 m170 -36.17 -62.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -46.35 -48.31 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 13' ' ' LEU . 44.2 mt -59.88 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.48 -35.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.032 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.6 mmt -68.68 -43.11 76.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -65.66 -34.02 77.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.3 m-85 -113.7 22.86 13.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.6 t-80 -64.88 126.69 91.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.79 -1.01 7.77 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.8 -40.85 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -94.43 -36.91 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -76.4 106.96 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -86.17 45.71 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.2 m -133.57 148.52 69.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -41.47 4.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.03 -37.03 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.39 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.11 -50.56 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -60.46 -55.11 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CB ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 mmpt? -40.21 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.2 -35.89 60.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.452 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.22 -23.56 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -94.44 -29.01 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.642 HG22 ' CD1' ' A' ' 28' ' ' PHE . 1.4 mt -76.12 -49.03 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.93 -62.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.25 -40.59 16.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.733 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 26.5 t80 -74.49 -52.82 10.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 10.0 mm-40 -34.44 -52.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.566 HG21 ' HB2' ' A' ' 68' ' ' TYR . 21.6 m -64.13 -51.29 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.859 HD12 HD12 ' A' ' 13' ' ' LEU . 41.6 mt -76.19 3.75 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 22.5 t -93.5 -55.9 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.72 153.53 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -70.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -49.97 -46.13 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -55.76 -57.39 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -62.46 -31.28 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -65.48 -35.85 82.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.602 ' HA ' HG22 ' A' ' 70' ' ' THR . 14.0 mt-10 -78.71 -47.91 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' HB2' HG21 ' A' ' 58' ' ' THR . 57.8 t80 -57.99 -21.88 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.11 -39.93 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.9 t -78.74 -17.62 55.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.19 -50.48 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 124.06 -142.0 13.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.472 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 63.7 t60 -118.16 -31.25 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t -86.2 -24.61 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.78 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -96.67 153.74 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 16.2 m-30 -44.66 -64.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.564 ' HD1' HG23 ' A' ' 15' ' ' VAL . 15.8 m-85 -35.68 -38.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -42.73 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' TYR . 54.9 mt -62.5 -46.92 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' O ' HD11 ' A' ' 31' ' ' LEU . 73.3 mt -75.5 -42.52 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 35.17 3.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.564 HG23 ' HD1' ' A' ' 10' ' ' TYR . 2.5 m -125.11 152.39 70.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.78 160.58 49.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 10.6 mptt -60.12 -27.79 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -104.34 20.73 17.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.629 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -64.05 138.93 58.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' GLU . 31.6 t -88.29 149.28 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -33.91 -60.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -40.11 -44.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' SER . 45.0 mt-30 -68.3 -38.87 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mt -65.72 -62.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 21' ' ' GLU . 39.7 mttt -48.46 -45.51 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -67.53 -54.51 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.32 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.718 ' CD1' HG22 ' A' ' 52' ' ' ILE . 12.8 t80 -79.3 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -38.61 -56.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -55.79 -40.0 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD11 ' O ' ' A' ' 13' ' ' LEU . 34.6 mt -65.89 -58.45 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.45 -38.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.82 -33.94 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttpt -71.75 -35.1 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.482 ' HA ' ' ND2' ' A' ' 40' ' ' ASN . 92.3 m-85 -113.11 17.71 18.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' ALA . 8.8 t-80 -59.06 135.43 87.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -0.87 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -111.54 -20.26 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -99.87 -37.72 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.482 ' ND2' ' HA ' ' A' ' 35' ' ' TYR . 14.7 m-20 -84.12 122.32 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -90.21 35.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -130.41 153.85 81.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -53.52 -37.37 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -45.58 -57.58 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -46.16 -46.35 17.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.35 82.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -48.64 -56.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.31 -35.69 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -53.67 -22.18 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.59 -26.06 14.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.718 HG22 ' CD1' ' A' ' 28' ' ' PHE . 7.1 mt -75.64 -47.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -58.61 -63.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -46.79 -34.42 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 56.2 t80 -77.07 -52.74 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' TYR . 72.5 mm-40 -34.62 -44.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.7 m -74.3 -48.85 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 13' ' ' LEU . 37.3 mt -80.42 10.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 85.5 p -99.29 -45.72 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.88 171.15 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.35 -69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -52.44 -42.32 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -60.87 -55.93 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -62.94 -31.08 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -64.21 -40.81 96.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 70' ' ' THR . 11.4 mt-10 -72.58 -49.9 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 54.2 t80 -56.42 -28.8 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -84.54 -43.68 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.4 t -74.34 -19.26 60.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.2 mt -109.6 -52.58 2.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.38 -148.03 17.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.456 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 81.6 t60 -102.77 -60.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -33.61 73.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.82 -51.97 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 8.7 t80 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 66.9 m -100.36 150.1 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.479 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 m-30 -45.4 -62.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.92 -32.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -85.86 -46.03 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -55.8 -38.7 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 59' ' ' LEU . 96.2 mt -90.73 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.08 31.2 10.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.28 152.37 49.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.71 168.46 21.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -66.86 -30.9 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -100.06 15.78 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -53.36 123.77 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLN . 10.4 t -70.27 148.28 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' SER . 38.5 tt0 -37.12 -45.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.05 -41.49 92.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' SER . 41.5 mt-30 -63.38 -44.15 95.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 59' ' ' LEU . 44.0 mt -63.65 -54.97 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -53.7 -46.79 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 18.1 mttm -63.65 -51.06 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.1 t80 -68.61 -55.37 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -41.1 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -45.99 -51.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.634 HD11 ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -51.82 -63.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.02 -34.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.44 -39.95 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 30.5 tttp -68.96 -31.69 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.0 m-85 -116.04 15.72 16.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -53.76 124.97 45.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 0.48 5.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.91 -40.36 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -89.25 -39.86 13.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -70.31 131.96 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 41.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -129.46 151.09 77.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.684 0.754 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.93 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.29 -54.84 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -47.29 -40.41 16.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.32 -53.27 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -46.93 -54.62 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 41.6 t80 -55.7 -32.11 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -60.67 -21.67 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.86 -27.13 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.789 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.3 mt -71.03 -42.46 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -65.59 -62.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -42.62 -44.95 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -62.22 -43.73 98.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.732 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.5 t80 -67.17 -55.14 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' TYR . 19.1 mt-10 -35.55 -46.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.7 m -68.63 -50.04 54.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 13' ' ' LEU . 46.6 mt -76.44 2.47 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.9 t -90.71 -49.93 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.1 167.32 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.01 -68.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.38 -45.14 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -57.22 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -64.45 -29.44 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -67.13 -42.72 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.1 mt-10 -69.31 -50.18 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 54.8 t80 -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.31 -39.44 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -80.36 -17.43 51.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 27.3 mt -111.54 -48.21 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.62 -163.37 12.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.53 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 18.3 t60 -98.3 1.75 47.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -112.45 -29.22 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . . . -94.5 -48.75 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -83.35 153.85 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.639 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 18.4 m-85 -41.62 -61.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 46.5 m-85 -36.21 -34.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 5.5 t70 -79.49 -48.18 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' TYR . 52.1 mt -58.52 -41.95 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.718 ' O ' HD11 ' A' ' 31' ' ' LEU . 77.8 mt -82.07 -34.02 29.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.17 8.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.422 HG11 ' HA ' ' A' ' 24' ' ' ILE . 3.0 m -118.3 154.58 52.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 54.3 Cg_endo -69.74 162.9 40.28 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.709 2.272 . . . . 0.0 112.383 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 35.4 mmtm -63.97 -21.02 66.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -110.64 15.69 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -53.3 125.32 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.3 m -71.85 148.91 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.9 tt0 -37.79 -48.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.07 -43.14 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 57.6 mt-30 -62.99 -48.39 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HA ' HG11 ' A' ' 15' ' ' VAL . 46.0 mt -56.52 -52.61 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -55.12 -47.67 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -59.71 -51.77 68.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.64 -49.38 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.668 ' CD1' HG22 ' A' ' 52' ' ' ILE . 16.9 t80 -62.01 -52.57 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -45.49 -68.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 1.3 ptpm? -44.9 -47.69 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -56.42 -64.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.41 -35.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mtt -69.3 -44.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttmm -64.84 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 98.5 m-85 -120.39 25.64 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' ALA . 3.4 t-80 -64.07 124.1 84.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.76 1.2 4.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 2.0 m-20 -104.92 -34.75 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -71.07 131.83 44.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -104.17 42.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m -137.74 149.14 63.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.689 0.757 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -48.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -50.34 -46.55 55.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.85 -50.75 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -47.91 -40.39 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.19 63.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HE3' ' CE1' ' A' ' 35' ' ' TYR . 2.9 mmmp? -50.99 -54.99 19.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.8 -29.14 53.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -62.02 -20.8 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -98.17 -22.71 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.668 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.4 mt -78.95 -50.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.58 -62.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -49.4 -39.82 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.64 -33.54 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 44.1 t80 -79.86 -54.08 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -40.05 -36.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.462 HG21 ' HE2' ' A' ' 9' ' ' TYR . 13.3 m -76.5 -41.26 47.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 13' ' ' LEU . 58.6 mt -92.45 12.82 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 4.0 p -100.31 -38.14 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.29 -175.04 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 -66.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 0.6 OUTLIER -57.01 -43.88 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -54.75 -51.02 66.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 8.5 ttt180 -69.81 -30.98 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -65.65 -35.3 80.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.709 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.3 mt-10 -80.11 -45.49 18.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.639 ' CE1' ' CE2' ' A' ' 9' ' ' TYR . 77.3 t80 -60.92 -21.32 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.69 -46.15 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.709 HG22 ' HA ' ' A' ' 67' ' ' GLU . 2.7 t -65.7 -34.24 77.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HG ' HG23 ' A' ' 70' ' ' THR . 28.7 mt -95.02 -39.34 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 90.29 139.63 7.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -42.09 -45.77 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -51.36 -37.97 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -100.4 -65.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' ALA . 66.1 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 m -105.55 153.14 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.6 m-85 -40.59 -61.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' TYR . 25.6 m-85 -34.98 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 10.8 t0 -79.7 -52.34 8.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.11 -42.41 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.838 ' O ' HD11 ' A' ' 31' ' ' LEU . 87.6 mt -81.13 -39.15 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 29.26 8.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.59 153.23 47.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.714 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.506 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.71 162.04 43.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -28.27 69.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -102.84 17.18 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -55.47 132.29 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.1 m -78.22 149.87 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.7 tt0 -35.85 -45.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -60.6 -44.12 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' SER . 39.1 mt-30 -60.74 -42.25 96.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -67.36 -50.61 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -61.92 -35.25 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.04 -49.73 22.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.15 89.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.757 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.3 t80 -64.03 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' PHE . 4.9 m170 -35.45 -59.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -51.95 -46.79 64.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 13' ' ' LEU . 55.8 mt -57.71 -57.15 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -39.8 -37.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.2 mmt -72.91 -36.21 67.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.5 ttpt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 98.1 m-85 -122.41 24.72 9.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.4 t-80 -61.18 125.13 83.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.73 -5.31 15.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.745 2.297 . . . . 0.0 112.338 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.7 -46.12 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -80.9 -39.56 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.616 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 13.8 t-20 -77.62 137.94 38.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -113.29 51.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -138.83 154.55 72.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.2 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.18 -42.89 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -51.09 -49.75 60.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.41 -42.05 66.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.0 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 11.6 mmtm -57.04 -59.8 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 37.4 t80 -51.65 -39.32 57.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -53.72 -22.98 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -98.62 -30.45 12.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.757 HG22 ' CD1' ' A' ' 28' ' ' PHE . 4.1 mt -68.53 -44.18 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.08 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -43.74 -36.04 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.88 -41.85 86.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 46.5 t80 -71.8 -50.61 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' TYR . 52.7 mt-10 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.414 HG23 ' CZ ' ' A' ' 76' ' ' PHE . 12.8 m -68.31 -50.16 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 13' ' ' LEU . 19.0 mt -81.02 11.93 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' TYR . 30.5 t -92.27 -51.54 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -76.66 -175.0 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.49 -65.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.29 -41.02 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.13 -54.03 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.46 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -65.19 -45.27 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 70' ' ' THR . 11.5 mt-10 -70.78 -45.48 64.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 38.6 t80 -61.59 -10.24 7.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.24 -37.23 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -80.29 -21.17 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.4 mt -104.01 -48.24 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.4 -132.02 7.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -125.32 -51.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -70.93 -12.61 61.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -68.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 58' ' ' THR . 7.5 t80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.421 ' HA ' ' ND1' ' A' ' 73' ' ' HIS . 81.9 p -73.86 140.52 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 13.9 m-85 -41.25 -60.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 30.4 m-85 -38.54 -36.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -75.66 -49.86 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.35 -41.45 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.702 ' O ' HD11 ' A' ' 31' ' ' LEU . 89.7 mt -81.68 -43.06 19.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.39 34.25 4.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.593 HG11 ' HA ' ' A' ' 24' ' ' ILE . 4.1 m -117.35 154.3 50.29 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.619 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.73 158.75 55.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 36.6 mmtm -59.78 -26.23 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -108.26 18.37 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -53.48 137.04 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLN . 67.3 m -79.16 150.68 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -40.68 -35.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 12.3 ttm105 -73.4 -36.33 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.5 mt-30 -68.79 -35.74 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.593 ' HA ' HG11 ' A' ' 15' ' ' VAL . 20.9 mt -68.79 -58.18 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.63 -31.7 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 27.2 mmtt -68.55 -52.31 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.84 87.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.779 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.2 t80 -71.42 -53.38 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -40.66 -61.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 16.5 ptpt -52.67 -47.37 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 13' ' ' LEU . 68.7 mt -55.41 -64.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.17 -38.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.31 -49.63 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 25.0 tttm -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.1 m-85 -114.22 22.17 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.3 t-80 -67.17 124.87 90.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.2 Cg_endo -69.8 1.63 4.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 27.3 m-20 -103.44 -41.34 6.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -90.67 -35.8 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -78.9 117.78 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -90.82 49.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -136.1 142.29 39.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.08 17.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.77 -36.04 77.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.03 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.9 -36.63 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.09 -52.52 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -48.12 -52.56 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -54.09 -33.69 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.2 -22.15 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -97.28 -30.38 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.779 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -70.01 -46.84 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.32 -65.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -42.1 -43.87 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -58.47 -47.02 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 40.7 t80 -66.8 -47.29 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -39.46 -40.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.9 m -77.2 -49.45 15.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.613 HD12 HD12 ' A' ' 13' ' ' LEU . 37.8 mt -74.71 -1.36 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 82.6 p -86.25 -56.1 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.97 154.17 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.14 -70.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -50.38 -47.17 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -53.51 -56.06 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -67.34 -27.09 66.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -60.44 -45.68 92.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.568 ' HA ' HG22 ' A' ' 70' ' ' THR . 6.6 mt-10 -74.57 -44.09 52.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 84.0 t80 -60.55 -10.77 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.08 -45.02 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.3 t -73.59 -20.65 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -107.02 -42.01 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.3 -144.16 18.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.421 ' ND1' ' HA ' ' A' ' 8' ' ' SER . 78.6 t60 -110.19 -61.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -63.18 -29.51 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.22 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 m -99.46 163.88 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.8 m-85 -54.02 -59.23 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -42.27 -26.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.64 -40.59 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -67.33 -47.17 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.844 ' O ' HD11 ' A' ' 31' ' ' LEU . 79.5 mt -74.89 -33.72 62.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.86 36.55 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.434 ' CG1' ' CB ' ' A' ' 27' ' ' ALA . 4.9 m -123.35 152.9 65.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.81 155.88 64.64 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -59.06 -22.0 60.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.65 18.69 20.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.549 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.62 137.23 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.5 t -82.15 151.37 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.5 tt0 -34.76 -52.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -55.1 -45.11 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.5 mm100 -59.31 -43.52 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.95 -54.07 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -57.4 -46.5 83.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -65.73 -44.32 86.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.434 ' CB ' ' CG1' ' A' ' 15' ' ' VAL . . . -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.663 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 12.7 t80 -75.7 -55.55 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -43.11 -65.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -44.84 -50.45 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.844 HD11 ' O ' ' A' ' 13' ' ' LEU . 50.3 mt -55.3 -62.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.61 -34.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.3 mmt -68.62 -48.58 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.1 tttt -63.9 -32.39 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 97.8 m-85 -113.6 21.59 14.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.94 120.95 65.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.79 0.57 5.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -100.98 -33.2 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -98.99 -39.91 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -69.3 130.45 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -107.17 56.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -145.31 143.63 20.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -17.25 37.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.27 -34.72 31.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -50.04 -41.58 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.04 65.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -50.42 -56.34 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -56.61 -31.26 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -62.44 -20.31 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -98.65 -32.02 11.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.624 HG22 ' CD1' ' A' ' 28' ' ' PHE . 1.8 mt -70.05 -47.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -66.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -43.86 -37.22 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -69.1 -43.91 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 28.1 t80 -68.44 -52.45 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' TYR . 6.3 mm-40 -35.37 -50.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -66.7 -42.76 85.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.76 HD12 HD12 ' A' ' 13' ' ' LEU . 70.9 mt -85.82 8.98 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' CZ ' ' A' ' 56' ' ' TYR . 23.1 t -99.33 -38.8 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.88 166.52 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.35 -71.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -50.33 -47.09 56.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.03 -55.61 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.26 -29.0 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -69.29 -43.07 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.696 ' HA ' HG22 ' A' ' 70' ' ' THR . 10.2 mt-10 -72.72 -44.93 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 42.8 t80 -60.69 -30.21 69.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -87.09 -44.24 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.0 t -68.6 -27.83 66.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 70' ' ' THR . 16.1 mt -104.07 -45.46 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 -155.23 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -92.97 -52.61 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.8 t -78.14 -40.04 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -65.29 -39.52 92.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.494 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -104.08 155.71 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ASP . 15.1 m-30 -51.07 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' TYR . 22.0 m-85 -36.92 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -82.35 -47.19 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' TYR . 65.3 mt -59.69 -42.01 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 59' ' ' LEU . 82.8 mt -81.79 -37.56 26.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.15 32.51 7.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.68 152.34 61.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 171.28 14.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.39 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -29.6 66.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -93.27 5.21 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.46 131.28 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.5 m -83.23 154.39 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -38.81 -48.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.67 -38.86 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' SER . 13.3 mm100 -66.15 -47.08 75.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -62.36 -53.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -54.73 -45.63 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -65.31 -43.4 91.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.92 99.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.748 ' CD1' HG22 ' A' ' 52' ' ' ILE . 49.3 t80 -71.22 -55.17 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -45.25 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 10.0 ptpt -45.95 -48.6 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.693 HD11 ' O ' ' A' ' 13' ' ' LEU . 37.2 mt -56.39 -63.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.15 -34.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -68.75 -44.63 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 26.3 tttp -65.27 -36.08 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 86.6 m-85 -110.09 17.81 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.8 t-80 -58.5 119.86 39.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.2 Cg_endo -69.72 -3.55 12.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.47 -38.42 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.68 -35.39 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -75.04 121.36 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 47.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -133.52 143.05 46.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.2 8.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.09 -40.38 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -45.58 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.35 -40.98 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.49 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.74 -53.62 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.478 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 42.6 t80 -54.57 -31.24 56.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -62.86 -21.32 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -96.03 -27.16 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.748 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -73.22 -46.8 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -56.95 -64.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.07 -38.43 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.93 -46.76 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' SER . 50.9 t80 -68.79 -54.06 18.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' TYR . 7.8 mm-40 -34.47 -44.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.6 m -72.65 -48.28 40.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 13' ' ' LEU . 25.2 mt -83.09 11.78 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' TYR . 41.9 t -91.7 -53.68 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.02 -174.96 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.25 -65.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -54.23 -41.46 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -62.06 -54.87 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.99 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -65.29 -48.25 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.6 mt-10 -65.2 -48.5 73.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 59' ' ' LEU . 69.6 t80 -56.83 -13.32 2.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.62 -44.03 5.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.4 t -75.0 -15.66 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.6 mt -110.77 -42.83 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.89 -179.16 25.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.576 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 27.2 t60 -87.64 -1.8 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -104.28 -25.07 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.04 -55.94 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.6 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.876 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -99.36 158.08 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 17.5 m-85 -50.93 -60.26 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 31.7 m-85 -39.18 -33.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.13 -44.91 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.59 -42.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.731 HD12 HD12 ' A' ' 59' ' ' LEU . 96.7 mt -82.32 -36.37 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.05 36.68 5.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 4.1 m -120.87 153.45 57.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.597 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.83 159.83 51.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 26.8 mmtp -60.59 -23.65 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.52 19.33 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.597 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.15 129.27 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.1 t -76.46 154.16 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 15.5 tt0 -37.25 -53.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -54.91 -42.12 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.8 mt-30 -62.97 -43.48 98.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -67.85 -44.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -66.04 -38.35 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -70.88 -48.05 55.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.98 93.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.715 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.1 t80 -71.18 -54.22 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -42.95 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -43.31 -51.12 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 13' ' ' LEU . 49.8 mt -54.37 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -36.24 -34.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' LEU . 14.4 mmt -70.93 -46.69 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 29.5 tttt -63.96 -29.27 70.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.57 ' CE1' ' HD3' ' A' ' 48' ' ' LYS . 97.3 m-85 -119.81 24.45 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.7 t-80 -65.3 121.35 74.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.26 3.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.71 2.274 . . . . 0.0 112.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -109.23 -30.67 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -99.82 -38.8 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -72.54 -37.24 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.11 42.28 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -122.6 153.67 62.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.696 0.76 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -36.25 11.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -35.98 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.68 80.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.75 -46.88 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.19 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -48.33 -62.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 53' ' ' ALA . 47.8 t80 -52.31 -36.05 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.86 -21.74 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -100.26 -30.72 11.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.653 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -72.65 -43.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.43 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -45.54 -37.11 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.84 -39.05 90.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.715 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 41.5 t80 -74.31 -51.07 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -37.71 -48.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.6 m -66.06 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.731 HD12 HD12 ' A' ' 13' ' ' LEU . 14.3 mt -82.72 12.53 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' TYR . 13.6 t -91.64 -53.29 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.66 -175.0 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.78 -65.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -55.11 -44.02 74.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -57.78 -54.83 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.63 -29.5 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -66.18 -49.5 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.744 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.6 mt-10 -66.87 -36.89 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 59' ' ' LEU . 80.0 t80 -63.0 -32.74 74.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.63 -45.76 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.744 HG22 ' HA ' ' A' ' 67' ' ' GLU . 4.3 t -65.91 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 70' ' ' THR . 18.7 mt -102.54 -51.12 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.93 -138.58 11.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -113.72 -44.41 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -75.34 -40.14 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.88 -50.48 13.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -81.06 145.29 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' TYR . 14.0 m-30 -40.65 -60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' TYR . 23.0 m-85 -34.83 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.7 t70 -79.06 -47.9 15.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' TYR . 59.1 mt -57.1 -40.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.757 ' O ' HD11 ' A' ' 31' ' ' LEU . 79.0 mt -83.68 -39.96 19.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.27 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.43 152.6 51.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.594 0.711 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.504 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.83 159.64 52.61 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -29.43 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -99.76 17.2 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -60.04 141.62 55.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -85.01 159.02 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 24' ' ' ILE . 17.7 tt0 -49.18 -45.55 44.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -64.65 -28.77 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -76.76 -33.62 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 59' ' ' LEU . 20.8 mt -71.21 -57.03 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.8 pttp -54.31 -43.0 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 15.4 mtmt -63.17 -52.49 62.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.63 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.758 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.1 t80 -71.26 -49.24 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 7.0 m170 -45.29 -63.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -46.99 -42.82 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 13' ' ' LEU . 76.7 mt -62.73 -62.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.86 -34.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.46 -41.14 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.0 tttp -68.93 -26.75 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -121.76 24.14 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -66.44 124.83 89.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.79 0.87 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -104.45 -42.55 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -89.14 -35.92 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 32.6 t-20 -79.7 110.12 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.14 43.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.1 m -131.85 144.09 51.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.3 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -46.71 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -43.89 -48.08 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.19 -45.25 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.51 78.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -54.59 -57.6 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.9 -39.53 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -52.53 -23.87 7.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -96.93 -29.21 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.758 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.2 mt -71.31 -47.46 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.21 -66.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -40.92 -42.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -58.1 -46.18 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.627 ' HD1' HG22 ' A' ' 24' ' ' ILE . 73.6 t80 -71.63 -52.96 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.8 mm-40 -34.45 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 m -74.66 -48.01 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 24' ' ' ILE . 11.6 mt -84.2 11.32 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 56' ' ' TYR . 5.1 p -90.79 -60.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' OG ' ' A' ' 60' ' ' SER . 1.6 t70 -69.56 -177.57 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.16 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.14 -42.74 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -58.37 -56.25 24.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -63.15 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -39.09 87.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.695 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.3 mt-10 -72.63 -50.28 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 73' ' ' HIS . 48.5 t80 -59.23 -20.1 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.89 -40.17 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.695 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -75.92 -21.0 57.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.23 -42.05 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' HIS . . . 98.58 136.12 9.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 68' ' ' TYR . 14.5 t60 -36.8 -47.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -54.9 -58.36 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -72.95 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 49.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 t -122.54 162.63 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 18.6 m-85 -61.86 -53.06 60.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -44.75 -24.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -47.75 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -57.75 -38.94 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 31' ' ' LEU . 95.5 mt -86.22 -42.75 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.78 35.23 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.67 155.15 50.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.75 160.15 50.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.56 -25.93 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -108.01 20.64 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.42 152.38 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.2 t -103.43 156.35 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -41.2 -43.42 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -60.42 -37.5 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' SER . 43.6 mt-30 -76.17 -44.17 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 59' ' ' LEU . 46.5 mt -63.41 -38.3 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.36 -30.26 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -77.08 -51.07 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -59.17 -36.87 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.0 t80 -75.1 -58.32 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -42.46 -60.52 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 9.4 ptmt -50.03 -49.85 49.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 13' ' ' LEU . 32.1 mt -56.5 -63.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.09 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.0 mmt -68.75 -48.37 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.1 ttmt -62.11 -34.09 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 98.4 m-85 -115.32 24.98 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.0 t-80 -63.89 120.76 66.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.81 -2.77 10.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -103.21 -35.37 8.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -91.97 -37.98 12.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -74.97 129.01 36.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -97.89 40.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.3 145.55 55.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.68 0.752 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.45 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -42.49 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.13 -47.75 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.21 -44.25 10.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.42 83.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.34 -57.5 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.71 -31.43 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -59.16 -22.06 60.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.08 -30.94 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.626 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.1 mt -71.48 -46.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.4 -60.5 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -49.05 -33.4 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -68.41 -37.64 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.63 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.7 t80 -76.46 -47.27 23.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -38.9 -50.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.478 HG21 ' CD2' ' A' ' 68' ' ' TYR . 26.2 m -66.85 -49.54 65.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 13' ' ' LEU . 60.7 mt -77.36 6.15 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 21.9 t -94.28 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.46 161.27 28.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -71.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -49.33 -45.6 45.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -58.02 -56.42 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -61.43 -29.97 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -69.39 -48.49 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.621 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.7 mt-10 -67.06 -49.68 64.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 39.2 t80 -55.57 -16.36 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -98.81 -43.85 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.9 t -74.01 -17.35 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.42 ' HG ' HG23 ' A' ' 70' ' ' THR . 21.8 mt -111.12 -51.18 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.39 -147.26 17.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -111.44 -38.59 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -79.04 -25.43 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -93.05 -63.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 75' ' ' ALA . 21.7 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.5 m -115.31 162.99 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.648 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 18.6 m-85 -55.3 -58.01 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 34.9 m-85 -41.65 -31.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.19 -47.13 15.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.496 HG21 ' HG3' ' A' ' 51' ' ' GLU . 64.1 mt -60.81 -45.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.798 HD12 HD12 ' A' ' 59' ' ' LEU . 90.1 mt -76.85 -33.58 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.61 35.28 7.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG13 ' CB ' ' A' ' 27' ' ' ALA . 2.4 m -120.81 156.17 56.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.635 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.77 159.71 52.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 73.1 mmtt -60.42 -25.63 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -110.99 24.39 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.635 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -60.39 138.78 57.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.475 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 46.8 t -84.13 157.79 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -43.56 -40.54 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.34 -45.62 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.475 ' NE2' ' HB3' ' A' ' 20' ' ' SER . 1.3 mp0 -65.03 -39.8 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.5 HD13 ' O ' ' A' ' 59' ' ' LEU . 21.0 mt -67.94 -52.56 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -57.0 -44.97 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -68.49 -51.62 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 15' ' ' VAL . . . -54.71 -39.46 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.735 ' CD1' HG22 ' A' ' 52' ' ' ILE . 13.3 t80 -75.75 -51.74 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -42.8 -60.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 18.9 ptpt -51.55 -44.78 62.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 HD11 ' O ' ' A' ' 13' ' ' LEU . 55.7 mt -59.97 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.34 -37.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -68.02 -43.96 77.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.4 ttmm -64.47 -37.76 88.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.502 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 84.2 m-85 -109.86 22.86 15.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.1 t-80 -65.67 137.65 96.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.66 -51.83 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.27 -41.51 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -85.38 125.05 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -91.86 16.31 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' ' 45' ' ' ALA . 94.5 p -101.42 147.07 33.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -45.96 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -36.68 72.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.508 ' HB2' ' OG ' ' A' ' 42' ' ' SER . . . -45.99 -56.53 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.43 -40.93 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -52.6 59.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 20.6 mmmt -47.68 -53.98 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.69 -32.21 59.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.93 -21.59 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.496 ' HG3' HG21 ' A' ' 12' ' ' ILE . 1.4 pt-20 -97.04 -31.5 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.735 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.3 mt -70.64 -49.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -54.32 -59.89 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -48.52 -40.9 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.498 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 30.0 t80 -67.93 -53.41 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' TYR . 42.6 mt-10 -34.43 -48.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.3 m -68.15 -41.56 81.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.798 HD12 HD12 ' A' ' 13' ' ' LEU . 22.2 mt -91.01 14.26 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 28.1 t -94.47 -51.16 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.99 -174.94 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.34 -66.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.425 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 3.8 m-80 -55.42 -45.84 76.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -55.36 -53.45 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.42 -35.6 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.732 ' HA ' HG22 ' A' ' 70' ' ' THR . 9.8 mt-10 -74.03 -45.82 47.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.648 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 48.9 t80 -63.62 -12.8 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.29 -35.24 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.732 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.2 t -79.8 -23.34 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 28.7 mt -103.77 -48.3 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.69 167.87 13.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -65.76 -49.05 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -75.55 -28.35 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -78.85 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 14.8 m -95.96 156.15 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 8.3 m-30 -46.5 -62.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' CG ' ' HE3' ' A' ' 17' ' ' LYS . 28.8 m-85 -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -46.71 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.81 -38.24 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD12 HD12 ' A' ' 59' ' ' LEU . 93.8 mt -89.97 -37.77 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.15 28.24 8.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.01 153.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.081 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.502 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.81 159.13 54.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.622 2.215 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HE3' ' CG ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.63 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -101.71 18.83 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -55.23 138.51 44.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 t -85.07 147.82 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.4 tt0 -35.54 -42.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -60.79 -45.9 92.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' SER . 46.3 mt-30 -65.11 -44.49 88.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 59' ' ' LEU . 25.8 mt -56.46 -57.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 8.5 ptmt -64.32 -33.08 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.41 -52.2 62.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.71 85.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.756 ' CD1' HG22 ' A' ' 52' ' ' ILE . 19.8 t80 -59.33 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 7.8 m-70 -36.86 -66.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -43.97 -51.65 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.9 mt -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.77 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' LEU . 13.2 mmt -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 7.4 tmtm? -64.09 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.654 ' CD2' HD11 ' A' ' 52' ' ' ILE . 72.5 m-85 -104.03 11.4 35.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' ALA . 9.7 t-80 -54.45 129.1 61.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.8 24.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -97.0 -25.0 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -49.41 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 45' ' ' ALA . 4.9 m-20 -73.26 106.73 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -82.58 49.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -135.48 152.63 76.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.802 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.97 9.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -40.43 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -47.67 -54.44 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -46.97 -51.1 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 1.8 mmpt? -46.93 -58.96 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -51.32 -36.87 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -53.25 -25.41 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -97.25 -28.19 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.756 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.5 mt -71.45 -43.87 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.29 -67.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -38.86 -47.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -55.18 -40.35 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.583 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 58.4 t80 -74.6 -47.59 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.56 -49.23 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.3 m -64.53 -55.1 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.619 ' O ' HD13 ' A' ' 24' ' ' ILE . 71.7 mt -69.78 -8.44 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 2.5 m -82.48 -55.2 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.68 175.59 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -70.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.18 -34.27 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -70.05 -53.47 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -64.43 -29.67 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -77.17 -59.37 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.683 ' HA ' HG22 ' A' ' 70' ' ' THR . 4.6 mm-40 -51.75 -31.33 26.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 32.8 t80 -75.47 -22.77 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.31 -26.28 15.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.683 HG22 ' HA ' ' A' ' 67' ' ' GLU . 5.9 t -85.02 -37.79 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.518 ' HG ' HG23 ' A' ' 70' ' ' THR . 11.5 mt -91.5 -40.81 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.55 -171.31 14.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 57.6 t60 -86.33 -42.59 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -82.6 -32.67 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -72.39 -58.72 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.3 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 m -124.02 155.61 37.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.537 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 14.9 m-30 -50.45 -61.25 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.76 -36.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.22 -43.04 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.2 mt -61.89 -47.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.769 ' O ' HD11 ' A' ' 31' ' ' LEU . 61.6 mt -75.6 -36.08 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.44 33.23 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 24' ' ' ILE . 9.4 m -116.87 154.19 49.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.536 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.72 156.89 62.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 32.1 mmtm -56.2 -33.92 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -101.12 22.44 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.98 141.52 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 57.6 m -91.4 148.79 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' SER . 21.0 tt0 -36.11 -34.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.2 ttm180 -66.71 -49.76 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 51.3 mt-30 -65.08 -38.36 90.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.541 ' HA ' HG11 ' A' ' 15' ' ' VAL . 23.4 mt -59.35 -56.6 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.3 OUTLIER -67.07 -32.33 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -65.9 -49.63 67.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.06 86.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.775 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.1 t80 -62.42 -64.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 9.2 m-70 -36.24 -58.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -52.72 -46.75 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.769 HD11 ' O ' ' A' ' 13' ' ' LEU . 45.7 mt -59.19 -60.4 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -34.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.1 mmt -68.88 -46.05 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.0 tttp -67.12 -27.89 67.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 97.3 m-85 -118.15 24.04 11.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.6 t-80 -66.87 122.63 83.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.7 -0.42 6.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.2 m-20 -105.28 -33.24 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -96.51 -39.39 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 17.9 t-20 -76.12 115.75 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.49 42.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 142.27 44.45 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.83 29.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.66 -35.1 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -55.27 -40.64 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.41 -41.84 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.6 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 26.9 mmmt -50.1 -55.35 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.5 -37.57 57.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -55.83 -22.06 22.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.69 -31.8 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.775 HG22 ' CD1' ' A' ' 28' ' ' PHE . 4.9 mt -67.29 -44.47 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.99 -67.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -40.29 -40.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -60.89 -45.2 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLU . 41.9 t80 -69.27 -58.13 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 63.1 mm-40 -34.49 -49.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 m -66.87 -49.36 65.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 9' ' ' TYR . 60.2 mt -78.1 6.36 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' TYR . 33.0 t -94.87 -47.97 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.1 157.11 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.12 -66.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -51.74 -45.83 63.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -55.65 -57.54 11.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -62.32 -33.05 73.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -61.24 -37.61 83.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.564 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.0 mt-10 -79.75 -44.33 20.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -61.96 -19.25 62.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.66 -40.09 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -77.48 -23.34 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -104.11 -52.01 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.04 -147.76 16.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -113.1 -24.01 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -96.51 -25.96 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.04 -49.77 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.5 t80 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -54.42 163.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -119.38 36.42 4.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.23 70.66 0.5 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 m -80.51 94.97 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 p -111.75 -176.03 2.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . 156.42 -89.82 0.12 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.7 p -87.22 142.16 28.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.903 0.382 . . . . 0.0 110.882 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.47 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.5 m-30 -45.17 -57.03 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.581 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 28.5 m-85 -39.77 -34.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -77.07 -50.23 13.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.652 HG21 ' HG3' ' A' ' 51' ' ' GLU . 76.1 mt -57.73 -37.87 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.672 HD12 HD12 ' A' ' 59' ' ' LEU . 95.5 mt -86.68 -35.99 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.81 32.26 9.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 24' ' ' ILE . 2.5 m -114.82 152.54 46.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 111.112 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.85 163.78 37.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 38.5 mmtm -65.11 -24.07 67.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.35 18.53 20.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.623 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.73 133.04 53.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.0 t -73.72 148.42 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -40.42 -44.13 1.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.432 ' NH1' ' HG3' ' A' ' 23' ' ' GLN . 5.2 ptm180 -64.05 -36.23 83.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' SER . 49.9 mt-30 -69.09 -46.18 68.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.597 ' HA ' HG11 ' A' ' 15' ' ' VAL . 43.7 mt -55.83 -62.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 14.6 ptpt -56.48 -37.72 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -60.41 -51.79 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.2 t80 -51.7 -63.54 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' PHE . 7.8 m-70 -34.4 -63.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -46.02 -49.34 16.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 13' ' ' LEU . 60.6 mt -57.93 -63.53 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.47 -36.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.9 mmt -67.0 -44.32 80.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' LEU . 25.4 tttp -67.58 -23.36 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -117.13 16.14 14.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 9.9 t-80 -71.08 138.75 84.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.73 -26.8 27.36 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 0.8 OUTLIER -71.62 -30.88 66.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -102.97 -57.3 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.612 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 4.7 t-20 -58.79 129.77 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.6 mtmm -88.64 -44.92 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -46.88 143.77 4.16 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.701 0.762 . . . . 0.0 110.814 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -28.78 24.77 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -36.12 83.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.612 ' HB2' ' CG ' ' A' ' 40' ' ' ASN . . . -44.89 -58.45 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -45.67 -47.01 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -51.35 61.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -48.83 -52.17 25.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -54.96 -26.5 36.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.67 -19.33 65.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HG3' HG21 ' A' ' 12' ' ' ILE . 4.8 pt-20 -99.94 -31.63 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.716 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.8 mt -68.65 -45.71 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.68 -66.44 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -42.2 -38.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -63.82 -39.79 95.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.61 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 53.3 t80 -70.7 -54.61 11.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.2 mt-10 -34.69 -47.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.4 m -68.02 -49.36 61.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.672 HD12 HD12 ' A' ' 13' ' ' LEU . 47.3 mt -81.58 12.54 3.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 56' ' ' TYR . 17.7 p -95.15 -47.69 6.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -80.1 -175.0 4.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.83 -66.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -57.26 -44.79 84.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -54.14 -48.08 71.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -73.06 -31.95 64.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -64.08 -38.27 90.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.641 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.2 mt-10 -73.1 -47.62 42.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 27.6 t80 -62.16 -8.56 5.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -107.4 -27.45 10.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 67' ' ' GLU . 4.2 t -91.07 -22.31 20.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.568 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 16.0 mt -104.12 -47.63 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 117.24 -178.73 17.21 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.51 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.826 ' O ' HG23 ' A' ' 77' ' ' THR . 83.7 t60 -69.7 -66.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 30.5 p -67.56 -26.6 66.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -72.0 -56.58 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 76' ' ' PHE . 9.3 t80 -62.19 -27.68 69.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.845 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 73' ' ' HIS . 17.2 p -93.24 49.77 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -126.0 85.58 2.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.59 -116.84 1.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -104.74 83.65 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 169.91 -176.14 43.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -75.77 120.09 20.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -110.36 -175.19 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.88 83.22 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.49 12.12 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 p -41.98 133.43 2.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 69.7 m -62.32 -54.83 34.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.527 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 p -105.37 41.68 1.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -154.64 148.23 25.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.02 -119.65 5.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 53.31 37.12 24.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.954 0.407 . . . . 0.0 110.866 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.0 m -87.9 119.49 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . -120.65 -66.77 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -106.76 160.28 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.365 . . . . 0.0 110.84 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' ASP . 14.3 m-30 -56.69 -59.71 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -39.06 -28.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.6 OUTLIER -85.53 -48.43 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -58.81 -41.05 81.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.777 ' O ' HD11 ' A' ' 31' ' ' LEU . 69.8 mt -82.22 -44.35 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.66 37.3 3.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.451 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.49 151.79 73.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 165.77 29.79 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -66.28 -29.78 70.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.5 p -93.88 9.17 38.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' O ' ' NH2' ' A' ' 65' ' ' ARG . . . -51.27 136.88 23.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -90.84 160.84 15.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -42.18 -55.47 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 23' ' ' GLN . 10.3 ptm180 -52.04 -39.75 60.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 12.0 mm100 -67.67 -49.44 62.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.438 HD13 ' O ' ' A' ' 59' ' ' LEU . 21.0 mt -60.69 -40.48 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -64.5 -53.35 49.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -59.35 -45.51 91.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.9 -49.85 76.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.75 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.2 t80 -66.62 -64.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -38.77 -63.4 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 mtpp -48.06 -48.47 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.777 HD11 ' O ' ' A' ' 13' ' ' LEU . 35.5 mt -56.66 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -37.16 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.9 mmt -65.71 -49.08 69.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 6.6 tmtm? -63.92 -30.83 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.696 ' CD2' HD11 ' A' ' 52' ' ' ILE . 80.7 m-85 -110.08 16.07 22.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 14.2 t-80 -65.75 135.09 95.41 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.76 -14.49 36.17 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.737 2.291 . . . . 0.0 112.307 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.07 -47.62 8.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -80.86 -43.05 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -74.58 118.33 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -94.07 43.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -132.44 152.38 79.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -49.44 0.57 Allowed 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.751 2.301 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -54.27 -41.81 69.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.51 -53.52 5.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.16 -46.26 34.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -53.36 49.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 4.3 mmmm -42.83 -55.11 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -52.52 -38.97 60.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -55.19 -23.13 20.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -96.75 -26.85 15.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.75 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.6 mt -71.4 -43.43 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.95 -64.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.2 tp10 -44.38 -36.96 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.93 -39.11 90.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.676 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 31.2 t80 -76.75 -50.02 14.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -39.64 -46.41 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.8 m -69.8 -45.94 66.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.556 HD12 HD12 ' A' ' 13' ' ' LEU . 36.2 mt -85.51 13.46 6.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.553 ' HB2' ' CE1' ' A' ' 56' ' ' TYR . 29.1 t -97.91 -46.3 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -83.46 -174.98 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.71 -65.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -57.89 -46.79 84.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.1 mtt-85 -50.57 -47.2 58.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 21.0 ttt180 -72.4 -37.98 68.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttpt -59.76 -42.56 93.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.939 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.677 ' HA ' HG22 ' A' ' 70' ' ' THR . 10.2 mt-10 -72.66 -35.79 67.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.454 ' CE2' HD21 ' A' ' 59' ' ' LEU . 50.6 t80 -66.73 -24.37 66.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -94.86 -43.71 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.677 HG22 ' HA ' ' A' ' 67' ' ' GLU . 2.3 t -68.77 -27.88 66.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.176 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HG ' HG23 ' A' ' 70' ' ' THR . 24.0 mt -101.33 -51.13 3.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 123.28 -136.29 10.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.531 ' CE1' ' O ' ' A' ' 7' ' ' GLY . 67.2 t60 -124.74 -38.41 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.3 t -73.68 -18.19 61.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.02 -67.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -38.85 -60.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 77' ' ' THR . 4.6 t -117.88 73.73 0.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.7 p -79.18 111.17 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.25 -123.64 7.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -164.8 132.0 3.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.366 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.41 -77.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.503 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.93 99.37 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -101.83 158.96 15.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 56.63 68.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 156.13 64.2 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.4 p -54.96 132.94 48.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.7 m -95.24 126.53 40.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -59.4 108.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.5 m 52.47 46.33 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.87 -96.05 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 m 51.25 42.92 29.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.882 0.373 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.7 p -111.89 161.14 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' NE2' ' A' ' 73' ' ' HIS . . . 175.6 -75.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -98.84 145.94 26.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.528 ' HE2' HG21 ' A' ' 58' ' ' THR . 16.8 m-30 -47.84 -67.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CD2' ' HD2' ' A' ' 17' ' ' LYS . 23.7 m-85 -36.49 -38.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.05 -46.13 45.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' TYR . 70.2 mt -61.76 -35.99 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.735 HD12 HD12 ' A' ' 59' ' ' LEU . 88.9 mt -87.73 -36.54 17.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.51 34.49 6.62 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 m -116.57 154.72 49.2 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.75 161.42 45.99 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.35 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.48 ' HD2' ' CD2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -62.23 -22.93 66.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -109.32 18.14 20.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.555 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -55.29 130.21 41.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 23' ' ' GLN . 16.1 m -78.5 147.41 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' SER . 32.1 tt0 -35.3 -50.21 0.54 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 29.6 ttp180 -54.74 -43.32 72.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 20' ' ' SER . 35.6 mt-30 -65.87 -48.02 72.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 56' ' ' TYR . 26.6 mt -51.38 -60.86 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.3 pttt -62.3 -35.38 78.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 20.5 mmtm -60.69 -44.85 96.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -43.53 61.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.768 ' CD1' HG22 ' A' ' 52' ' ' ILE . 29.1 t80 -60.18 -59.18 5.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -40.78 -59.06 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -54.55 -46.99 73.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' ' 13' ' ' LEU . 28.5 mt -55.92 -62.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.28 -38.66 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 9.8 mmt -67.21 -40.21 86.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 31' ' ' LEU . 23.2 ttmt -68.79 -30.81 69.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.469 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 92.3 m-85 -113.91 20.11 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 10.9 t-80 -68.61 136.62 90.52 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 110.858 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.368 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -80.64 -46.9 14.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -78.99 -47.24 16.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -69.19 -40.13 78.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm 50.46 49.25 21.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -135.79 151.79 74.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.677 0.751 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -44.99 1.75 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.62 -37.55 82.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -48.35 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -47.5 -46.3 27.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.63 -53.08 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -48.68 -52.89 21.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -52.83 -35.35 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -57.76 -23.07 50.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.26 -23.2 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.768 HG22 ' CD1' ' A' ' 28' ' ' PHE . 8.5 mt -74.89 -48.62 32.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -59.79 -66.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -39.42 -41.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -60.63 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.501 ' CE1' ' HA ' ' A' ' 25' ' ' LYS . 81.8 t80 -64.64 -53.98 39.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' TYR . 79.9 mm-40 -37.97 -44.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.528 HG21 ' HE2' ' A' ' 9' ' ' TYR . 57.4 m -72.65 -41.54 65.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.735 HD12 HD12 ' A' ' 13' ' ' LEU . 77.7 mt -82.92 0.2 45.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' TYR . 52.4 p -89.81 -48.88 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.17 157.92 30.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.18 -70.29 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -51.13 -49.1 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -51.84 -54.01 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -69.92 -26.07 63.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -71.8 -38.04 70.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.5 mt-10 -77.48 -42.18 36.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 59' ' ' LEU . 41.6 t80 -59.81 -25.86 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -91.39 -47.53 7.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.889 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.5 t -67.78 -24.95 65.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' HG ' HG23 ' A' ' 70' ' ' THR . 56.9 mt -106.54 -49.53 3.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.03 -140.97 15.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.485 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.497 ' O ' HG23 ' A' ' 77' ' ' THR . 84.0 t60 -114.53 -52.72 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.829 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.0 t -62.37 -36.7 83.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.816 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.05 -63.32 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -42.03 -50.8 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -122.77 79.63 1.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.143 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 t -87.05 124.99 33.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.44 43.73 5.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -144.47 144.6 31.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.32 -41.71 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -48.05 -45.63 32.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.7 m -63.39 109.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.94 -158.16 12.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.492 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 88.35 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.634 2.223 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.5 t -110.16 124.29 51.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.9 p -99.55 -48.86 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -84.7 -62.44 1.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -104.22 5.97 35.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 48.84 -93.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 90.1 p -36.85 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 58.1 m -37.29 -64.19 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.02 -115.2 6.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 t -97.95 155.14 17.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.824 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 16.0 m-30 -50.55 -52.7 36.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -41.16 -30.75 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -83.0 -48.17 10.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -58.39 -46.19 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 59' ' ' LEU . 79.1 mt -76.98 -40.33 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.27 35.92 5.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.483 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -122.84 152.41 62.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.579 0.704 . . . . 0.0 111.167 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.573 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.75 159.75 52.25 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.716 2.277 . . . . 0.0 112.351 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' O ' ' NH2' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -59.38 -30.23 68.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -105.72 22.36 15.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.573 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.24 141.32 41.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' GLN . 73.0 m -80.87 148.1 30.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -39.76 -48.33 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -59.15 -38.93 80.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' SER . 7.7 mt-30 -64.55 -42.24 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.561 HG21 ' O ' ' A' ' 59' ' ' LEU . 48.4 mt -63.13 -60.17 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -40.06 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -67.3 -48.9 66.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.442 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -60.38 -38.88 85.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.1 t80 -71.84 -58.82 3.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -44.38 -62.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 10.8 ptmt -48.75 -49.65 37.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.732 HD11 ' O ' ' A' ' 13' ' ' LEU . 26.5 mt -56.21 -65.72 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.559 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -33.91 -37.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.1 mmt -66.06 -48.28 71.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -63.79 -31.5 72.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.525 ' CD2' HD11 ' A' ' 52' ' ' ILE . 88.7 m-85 -111.11 19.12 18.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' ALA . 15.1 t-80 -68.02 134.57 91.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.584 0.707 . . . . 0.0 110.848 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 -29.29 24.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -76.69 -51.7 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -74.59 -45.25 46.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 11.9 t-20 -83.1 139.28 33.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.5 ptmm? -117.53 73.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.2 m -150.34 149.85 27.67 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.702 0.763 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -27.22 27.01 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.94 -32.83 26.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.71 52.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -48.87 -50.1 36.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.98 81.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -45.36 -56.4 4.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 31.6 t80 -53.06 -40.57 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -53.28 -22.07 6.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.63 -26.63 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.666 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.9 mt -75.62 -44.6 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.96 -65.54 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -43.88 -39.24 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.74 -42.09 91.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.695 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 25.8 t80 -70.31 -51.05 33.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.966 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 27.9 mt-10 -34.46 -49.84 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 91.4 m -66.77 -50.09 63.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 13' ' ' LEU . 21.4 mt -82.7 14.94 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 56' ' ' TYR . 11.3 t -94.18 -53.6 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -79.26 177.5 8.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.77 -67.28 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -53.59 -48.87 68.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -51.42 -51.79 51.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' NH2' ' O ' ' A' ' 17' ' ' LYS . 2.0 tmt_? -70.78 -26.8 63.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -71.0 -38.29 72.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.952 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.722 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.9 mt-10 -77.07 -37.28 54.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -62.6 -20.41 64.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -95.66 -34.62 11.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.722 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.4 t -82.92 -21.28 34.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 70' ' ' THR . 30.2 mt -108.78 -47.2 3.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 115.04 -141.17 16.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -123.74 -20.5 5.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.9 p -84.8 -25.18 28.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -103.14 -60.77 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -40.62 -58.78 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.9 t -103.81 -42.57 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.1 t 55.86 51.7 11.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -86.95 85.51 1.55 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.515 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -132.38 144.3 50.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.09 -109.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -43.13 131.59 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 t -118.22 149.87 40.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -131.13 143.3 14.73 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -2.2 9.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.8 t -38.09 124.23 1.17 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.6 m -98.05 -56.79 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.512 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 139.31 58.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.381 . . . . 0.0 110.805 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -131.02 168.11 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.81 -89.86 1.71 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t 62.07 42.04 10.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.836 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -82.34 146.26 29.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.04 -76.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.539 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.571 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 46.3 m -98.46 154.55 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.616 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 17.5 m-85 -43.24 -57.82 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CD2' ' CD ' ' A' ' 17' ' ' LYS . 28.0 m-85 -34.4 -35.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.8 t70 -78.1 -50.49 11.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.487 HG21 ' O ' ' A' ' 51' ' ' GLU . 42.7 mt -57.2 -36.99 53.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 59' ' ' LEU . 94.8 mt -87.25 -34.03 19.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.18 30.24 13.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 24' ' ' ILE . 2.7 m -115.24 155.32 47.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.602 0.715 . . . . 0.0 111.164 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.8 166.47 27.54 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.316 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.618 ' CD ' ' CD2' ' A' ' 10' ' ' TYR . 29.5 mmtp -67.03 -21.87 65.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 m -109.96 17.6 20.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -55.0 132.37 46.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.095 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 23' ' ' GLN . 22.6 t -78.39 150.0 33.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.06 -44.61 2.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.468 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 7.5 tpt180 -64.2 -35.29 80.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.1 mt-30 -71.19 -43.81 66.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.502 ' HA ' HG11 ' A' ' 15' ' ' VAL . 38.5 mt -59.58 -63.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 15.0 ptmt -56.17 -30.77 62.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 13.4 mmtm -67.69 -51.54 48.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.79 -39.73 87.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.792 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.2 t80 -64.08 -58.35 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -40.13 -62.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -50.61 -47.42 58.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD11 ' O ' ' A' ' 13' ' ' LEU . 39.6 mt -56.44 -63.68 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.27 -37.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.7 mmt -66.35 -42.74 87.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 31' ' ' LEU . 12.4 ttmm -66.34 -34.85 78.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -110.62 21.03 17.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.503 ' CG ' ' HD2' ' A' ' 37' ' ' PRO . 15.3 t-80 -66.48 139.47 96.14 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.503 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.75 -43.25 2.78 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.7 -54.64 36.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -66.79 -53.15 35.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 36' ' ' HIS . 7.6 t-20 -71.77 124.03 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -97.4 38.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 m -125.52 152.37 71.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -46.52 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.3 -43.42 78.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.412 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -47.45 -54.75 10.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -47.75 -43.94 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.55 -53.77 37.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -45.93 -50.31 14.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -56.75 -28.49 61.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.36 -17.06 64.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' O ' HG21 ' A' ' 12' ' ' ILE . 18.3 mt-10 -101.62 -24.51 14.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.792 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -76.8 -46.03 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.17 -62.82 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.082 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -45.9 -36.01 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.31 -41.92 89.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.67 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 80.9 t80 -74.49 -52.17 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 80.8 mm-40 -34.44 -39.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.2 m -77.93 -51.83 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 13' ' ' LEU . 41.3 mt -77.18 4.88 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 97.3 p -93.86 -52.6 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.18 159.72 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.81 -71.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -49.52 -45.58 47.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -57.71 -56.32 23.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -62.8 -29.51 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -66.87 -50.63 61.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' HA ' HG22 ' A' ' 70' ' ' THR . 14.5 mt-10 -65.32 -38.12 89.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 45.1 t80 -66.73 -12.6 59.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -102.8 -39.4 7.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.8 t -77.23 -20.19 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HG ' HG23 ' A' ' 70' ' ' THR . 11.5 mt -107.78 -45.91 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.8 -141.7 15.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.512 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 58.5 t60 -115.63 -47.93 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -71.54 -31.87 67.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.05 -51.49 6.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -54.63 -18.58 4.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 73' ' ' HIS . 77.9 p -100.44 52.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 9.2 t -131.47 153.57 49.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 126.23 -54.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -74.51 -53.96 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -169.39 -109.87 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.544 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -131.85 119.58 21.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.7 t -99.89 158.96 15.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.43 83.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 143.14 49.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 87' ' ' SER . 10.6 m -81.03 108.51 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 86' ' ' SER . 70.8 m 34.44 44.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -129.77 164.05 24.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.6 p -68.66 152.77 44.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.83 -61.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -144.23 130.93 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.4 p -63.5 163.7 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.21 -94.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.45 141.33 36.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.601 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 15.2 m-30 -41.72 -62.84 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HD1' HG23 ' A' ' 15' ' ' VAL . 19.8 m-85 -34.5 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' TYR . 6.5 t70 -78.98 -49.52 12.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' N ' ' O ' ' A' ' 9' ' ' TYR . 75.6 mt -59.69 -40.05 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.79 ' O ' HD11 ' A' ' 31' ' ' LEU . 75.5 mt -80.72 -39.75 26.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.91 37.42 4.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG23 ' HD1' ' A' ' 10' ' ' TYR . 3.5 m -122.77 155.29 63.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.694 0.759 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.25 46.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 48.8 mmtt -61.95 -26.89 68.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.4 p -100.18 13.82 32.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.99 130.85 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.061 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 m -83.03 152.42 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' SER . 19.3 tt0 -37.51 -50.48 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' O ' ' CD ' ' A' ' 26' ' ' LYS . 13.2 ptp180 -57.67 -41.52 81.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.889 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' SER . 75.3 mt-30 -63.38 -45.33 91.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 21.8 mt -62.05 -45.76 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.68 -57.68 10.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' CD ' ' O ' ' A' ' 22' ' ' ARG . 1.1 mptm? -56.25 -42.91 78.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.72 94.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.797 ' CD1' HG22 ' A' ' 52' ' ' ILE . 50.9 t80 -71.59 -57.06 4.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -42.51 -66.67 0.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -46.45 -50.47 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.79 HD11 ' O ' ' A' ' 13' ' ' LEU . 48.3 mt -53.45 -63.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.09 -35.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.67 -41.49 75.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 18.1 ttmt -67.95 -29.12 68.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.5 m-85 -117.1 21.29 13.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' ALA . 12.6 t-80 -67.02 137.09 94.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.7 -25.41 28.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -83.6 -50.21 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -70.89 -42.71 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -83.29 134.58 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -101.59 30.19 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.86 31.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 0.0 110.847 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -34.08 15.3 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -68.89 -35.91 77.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.51 -50.93 12.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -48.12 -46.9 34.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.08 67.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -46.06 -56.33 5.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -50.52 -41.51 53.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.448 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 13.6 tpt85 -53.41 -25.79 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -93.37 -24.38 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.7 mt -74.91 -44.63 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -62.96 -64.4 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.065 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -39.7 -40.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -68.19 -39.42 82.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 52.3 t80 -73.08 -55.57 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.969 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -37.05 -42.69 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.462 HG21 ' HE2' ' A' ' 9' ' ' TYR . 30.9 m -73.57 -42.91 61.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.576 HD12 HD12 ' A' ' 13' ' ' LEU . 33.3 mt -90.35 13.77 14.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 9.8 p -95.27 -50.03 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.76 -176.54 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.64 -67.2 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -56.07 -47.05 78.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -52.38 -49.63 64.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -72.27 -30.53 64.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -68.21 -26.13 65.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.411 ' HA ' HG22 ' A' ' 70' ' ' THR . 23.2 mt-10 -86.48 -50.39 6.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.601 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 22.0 t80 -54.89 -14.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -98.27 -48.66 4.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.461 ' CG2' ' HG ' ' A' ' 71' ' ' LEU . 1.3 t -69.47 -19.84 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 70' ' ' THR . 18.4 mt -113.3 -42.37 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.965 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 87.1 147.09 11.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . 8.7 t60 -48.99 -34.74 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -60.01 -32.65 71.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -108.58 -61.75 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' ALA . 33.1 t80 -34.86 -67.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.452 HG21 ' CE1' ' A' ' 73' ' ' HIS . 6.0 t -98.19 -26.36 14.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.5 t 38.09 49.92 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -84.72 167.04 41.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -85.23 -21.89 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 106.09 -127.01 8.76 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' OE1' ' N ' ' A' ' 83' ' ' SER . 0.9 OUTLIER -175.18 116.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.403 ' N ' ' OE1' ' A' ' 82' ' ' GLN . 62.3 p -78.74 132.42 36.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.39 83.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 150.56 68.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -119.84 -51.0 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.2 t -112.88 169.98 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -97.25 88.33 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -166.19 173.29 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.31 67.44 0.51 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.6 p -74.6 163.56 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.9 p -121.96 130.31 53.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . -100.48 -94.84 2.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.509 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 m -103.99 166.55 10.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -61.16 -57.66 11.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 17' ' ' LYS . 28.0 m-85 -40.87 -28.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -86.09 -46.45 10.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 51' ' ' GLU . 96.3 mt -60.1 -45.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.859 HD12 HD12 ' A' ' 59' ' ' LEU . 86.6 mt -78.72 -35.87 44.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.91 33.11 7.16 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.9 m -121.47 154.05 59.31 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.359 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 mptt -65.48 -27.16 68.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.6 m -105.24 18.23 22.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -54.59 138.78 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 23' ' ' GLN . 8.2 t -83.87 148.13 27.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 31.2 tt0 -35.7 -50.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -55.84 -43.65 77.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 20' ' ' SER . 6.1 mt-30 -63.39 -46.86 84.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.3 mt -59.53 -51.39 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -61.05 -46.74 89.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.4 mmmt -62.39 -41.24 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -48.77 67.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.733 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 10.2 t80 -60.98 -65.0 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' PHE . 5.3 m170 -36.17 -62.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -46.35 -48.31 18.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.752 HD11 ' O ' ' A' ' 13' ' ' LEU . 44.2 mt -59.88 -63.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.48 -35.12 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.032 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 18.6 mmt -68.68 -43.11 76.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -65.66 -34.02 77.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CE2' ' HD2' ' A' ' 34' ' ' LYS . 97.3 m-85 -113.7 22.86 13.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.6 t-80 -64.88 126.69 91.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.79 -1.01 7.77 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.73 2.286 . . . . 0.0 112.346 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.8 -40.85 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -94.43 -36.91 11.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -76.4 106.96 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -86.17 45.71 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.2 m -133.57 148.52 69.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -41.47 4.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.388 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.03 -37.03 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.39 72.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.11 -50.56 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 50' ' ' ARG . . . -60.46 -55.11 37.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' CB ' ' CD1' ' A' ' 35' ' ' TYR . 1.3 mmpt? -40.21 -54.63 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -53.2 -35.89 60.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.452 ' C ' ' OE1' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -59.22 -23.56 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' N ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -94.44 -29.01 15.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.642 HG22 ' CD1' ' A' ' 28' ' ' PHE . 1.4 mt -76.12 -49.03 26.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.93 -62.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.25 -40.59 16.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.27 90.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.084 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.733 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 26.5 t80 -74.49 -52.82 10.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' TYR . 10.0 mm-40 -34.44 -52.14 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.566 HG21 ' HB2' ' A' ' 68' ' ' TYR . 21.6 m -64.13 -51.29 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.859 HD12 HD12 ' A' ' 13' ' ' LEU . 41.6 mt -76.19 3.75 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 22.5 t -93.5 -55.9 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.72 153.53 38.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.68 -70.19 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -49.97 -46.13 52.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 -55.76 -57.39 12.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -62.46 -31.28 71.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -65.48 -35.85 82.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.602 ' HA ' HG22 ' A' ' 70' ' ' THR . 14.0 mt-10 -78.71 -47.91 15.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' HB2' HG21 ' A' ' 58' ' ' THR . 57.8 t80 -57.99 -21.88 46.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -92.11 -39.93 11.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.602 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.9 t -78.74 -17.62 55.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -109.19 -50.48 2.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.511 ' O ' ' CD1' ' A' ' 68' ' ' TYR . . . 124.06 -142.0 13.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.538 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.616 ' O ' HG23 ' A' ' 77' ' ' THR . 63.7 t60 -118.16 -31.25 5.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.5 t -86.2 -24.61 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.78 -60.83 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -50.16 -39.0 42.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 73' ' ' HIS . 1.2 t -133.75 77.99 1.75 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.0 t -83.84 143.02 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.27 88.63 2.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.07 -9.42 53.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.09 69.71 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -143.49 155.77 44.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.0 t -108.55 133.76 52.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.71 146.18 15.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 175.03 8.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -163.31 134.04 4.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.9 p -48.07 168.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -89.83 -53.74 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -99.67 144.4 28.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.57 76.09 1.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -164.98 145.13 7.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -91.35 -60.97 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.93 -125.68 7.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -96.67 153.74 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.514 ' CD2' ' CE2' ' A' ' 68' ' ' TYR . 16.2 m-30 -44.66 -64.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.564 ' HD1' HG23 ' A' ' 15' ' ' VAL . 15.8 m-85 -35.68 -38.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -42.73 34.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 9' ' ' TYR . 54.9 mt -62.5 -46.92 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' O ' HD11 ' A' ' 31' ' ' LEU . 73.3 mt -75.5 -42.52 52.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.14 35.17 3.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.489 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.564 HG23 ' HD1' ' A' ' 10' ' ' TYR . 2.5 m -125.11 152.39 70.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.629 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.7 Cg_endo -69.78 160.58 49.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HA ' ' CE2' ' A' ' 10' ' ' TYR . 10.6 mptt -60.12 -27.79 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -104.34 20.73 17.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.629 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -64.05 138.93 58.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' GLU . 31.6 t -88.29 149.28 23.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' C ' ' CD ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -33.91 -60.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -40.11 -44.2 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' SER . 45.0 mt-30 -68.3 -38.87 82.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' GLU . 32.6 mt -65.72 -62.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' CG ' ' OE2' ' A' ' 21' ' ' GLU . 39.7 mttt -48.46 -45.51 36.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -67.53 -54.51 19.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.32 59.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.718 ' CD1' HG22 ' A' ' 52' ' ' ILE . 12.8 t80 -79.3 -62.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -38.61 -56.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -55.79 -40.0 72.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD11 ' O ' ' A' ' 13' ' ' LEU . 34.6 mt -65.89 -58.45 5.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -41.45 -38.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.0 mmt -70.82 -33.94 71.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 31' ' ' LEU . 19.6 ttpt -71.75 -35.1 70.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.482 ' HA ' ' ND2' ' A' ' 40' ' ' ASN . 92.3 m-85 -113.11 17.71 18.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.938 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' ALA . 8.8 t-80 -59.06 135.43 87.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.583 0.706 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -0.87 7.58 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.316 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -111.54 -20.26 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -99.87 -37.72 8.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.482 ' ND2' ' HA ' ' A' ' 35' ' ' TYR . 14.7 m-20 -84.12 122.32 28.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -90.21 35.99 0.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.4 m -130.41 153.85 81.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.679 0.752 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -47.21 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -53.52 -37.37 62.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -45.58 -57.58 4.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -46.16 -46.35 17.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.85 -46.35 82.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.053 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -48.64 -56.17 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -56.31 -35.69 67.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -53.67 -22.18 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.59 -26.06 14.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.718 HG22 ' CD1' ' A' ' 28' ' ' PHE . 7.1 mt -75.64 -47.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -58.61 -63.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -46.79 -34.42 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.04 75.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 56.2 t80 -77.07 -52.74 8.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 56' ' ' TYR . 72.5 mm-40 -34.62 -44.64 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.7 m -74.3 -48.85 25.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 13' ' ' LEU . 37.3 mt -80.42 10.01 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 85.5 p -99.29 -45.72 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.88 171.15 15.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.35 -69.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -52.44 -42.32 64.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -60.87 -55.93 27.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -62.94 -31.08 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -64.21 -40.81 96.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' HA ' HG22 ' A' ' 70' ' ' THR . 11.4 mt-10 -72.58 -49.9 29.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.514 ' CE2' ' CD2' ' A' ' 9' ' ' TYR . 54.2 t80 -56.42 -28.8 60.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -84.54 -43.68 14.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.4 t -74.34 -19.26 60.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.2 mt -109.6 -52.58 2.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.38 -148.03 17.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.456 ' HA ' ' CE2' ' A' ' 68' ' ' TYR . 81.6 t60 -102.77 -60.09 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -33.61 73.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.82 -51.97 16.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 8.7 t80 -63.67 -11.43 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 73' ' ' HIS . 41.3 p -107.43 45.42 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.8 t -85.2 111.28 19.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.78 -56.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -158.58 147.26 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.76 0.314 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 171.49 104.89 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.15 139.56 30.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -163.18 163.61 25.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 89.57 67.57 1.23 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 151.48 69.57 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.387 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.5 t -90.9 98.49 11.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 m -87.1 -49.14 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -133.63 173.48 11.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -122.72 141.61 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.11 -177.25 3.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -129.21 165.4 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.381 . . . . 0.0 110.835 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 m -60.51 139.03 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.89 -75.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 66.9 m -100.36 150.1 22.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.479 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 14.1 m-30 -45.4 -62.13 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.897 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' CE1' ' HA ' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.92 -32.62 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.8 OUTLIER -85.86 -46.03 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.5 mt -55.8 -38.7 52.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 59' ' ' LEU . 96.2 mt -90.73 -31.15 16.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.08 31.2 10.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.459 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.28 152.37 49.08 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.49 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.71 168.46 21.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.535 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -66.86 -30.9 71.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -100.06 15.78 26.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -53.36 123.77 12.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 23' ' ' GLN . 10.4 t -70.27 148.28 48.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.84 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' SER . 38.5 tt0 -37.12 -45.92 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -60.05 -41.49 92.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 20' ' ' SER . 41.5 mt-30 -63.38 -44.15 95.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 59' ' ' LEU . 44.0 mt -63.65 -54.97 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.0 mtpp -53.7 -46.79 70.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' O ' ' CE ' ' A' ' 30' ' ' LYS . 18.1 mttm -63.65 -51.06 66.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.789 ' CD1' HG22 ' A' ' 52' ' ' ILE . 10.1 t80 -68.61 -55.37 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -41.1 -66.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -45.99 -51.44 13.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.634 HD11 ' O ' ' A' ' 13' ' ' LEU . 75.1 mt -51.82 -63.73 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -39.02 -34.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.44 -39.95 67.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 30.5 tttp -68.96 -31.69 70.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.0 m-85 -116.04 15.72 16.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -53.76 124.97 45.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.59 0.709 . . . . 0.0 110.837 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.401 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.72 0.48 5.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.327 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -102.91 -40.36 6.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -89.25 -39.86 13.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -70.31 131.96 44.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 41.19 1.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.4 m -129.46 151.09 77.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.684 0.754 . . . . 0.0 110.821 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -47.93 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.28 . . . . 0.0 112.345 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 -38.06 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.29 -54.84 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -47.29 -40.41 16.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.32 -53.27 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -46.93 -54.62 9.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 41.6 t80 -55.7 -32.11 63.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -60.67 -21.67 63.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -96.86 -27.13 14.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.789 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.3 mt -71.03 -42.46 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -65.59 -62.53 1.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -42.62 -44.95 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.479 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -62.22 -43.73 98.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.732 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.5 t80 -67.17 -55.14 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' TYR . 19.1 mt-10 -35.55 -46.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 25.7 m -68.63 -50.04 54.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 13' ' ' LEU . 46.6 mt -76.44 2.47 13.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 1.9 t -90.71 -49.93 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -75.1 167.32 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.01 -68.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.38 -45.14 65.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -57.22 -56.43 21.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -64.45 -29.44 70.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -67.13 -42.72 83.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HA ' HG22 ' A' ' 70' ' ' THR . 19.1 mt-10 -69.31 -50.18 49.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.456 ' CE2' ' CE2' ' A' ' 10' ' ' TYR . 54.8 t80 -56.24 -19.94 16.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -92.31 -39.44 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -80.36 -17.43 51.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.494 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . 27.3 mt -111.54 -48.21 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 108.62 -163.37 12.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.53 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 18.3 t60 -98.3 1.75 47.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.342 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.1 p -112.45 -29.22 7.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.494 ' HB3' ' HB3' ' A' ' 71' ' ' LEU . . . -94.5 -48.75 5.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.66 -41.75 86.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.4 p -91.23 68.69 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.9 t -113.92 87.73 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 179.72 -73.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -136.14 148.63 48.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.842 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -148.78 -174.66 20.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -161.3 159.77 28.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.6 p -87.16 -45.34 10.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.64 165.63 0.24 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 116.81 4.74 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.695 2.263 . . . . 0.0 112.315 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 m -99.6 124.97 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.2 m 47.46 42.2 14.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.816 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 p -51.6 125.24 14.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.9 t -116.3 83.1 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.02 89.49 1.73 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -88.09 153.76 21.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.9 p -38.41 -55.41 1.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.64 -151.37 49.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -83.35 153.85 24.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.639 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 18.4 m-85 -41.62 -61.06 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 46.5 m-85 -36.21 -34.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 5.5 t70 -79.49 -48.18 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' TYR . 52.1 mt -58.52 -41.95 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.718 ' O ' HD11 ' A' ' 31' ' ' LEU . 77.8 mt -82.07 -34.02 29.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.71 33.17 8.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.422 HG11 ' HA ' ' A' ' 24' ' ' ILE . 3.0 m -118.3 154.58 52.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.624 0.726 . . . . 0.0 111.106 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.59 ' HD2' ' HB2' ' A' ' 19' ' ' ALA . 54.3 Cg_endo -69.74 162.9 40.28 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.709 2.272 . . . . 0.0 112.383 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 35.4 mmtm -63.97 -21.02 66.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -110.64 15.69 21.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.59 ' HB2' ' HD2' ' A' ' 16' ' ' PRO . . . -53.3 125.32 17.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.3 m -71.85 148.91 45.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.9 tt0 -37.79 -48.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -58.07 -43.14 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 57.6 mt-30 -62.99 -48.39 79.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.422 ' HA ' HG11 ' A' ' 15' ' ' VAL . 46.0 mt -56.52 -52.61 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -55.12 -47.67 74.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -59.71 -51.77 68.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.64 -49.38 73.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.668 ' CD1' HG22 ' A' ' 52' ' ' ILE . 16.9 t80 -62.01 -52.57 63.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -45.49 -68.22 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 1.3 ptpm? -44.9 -47.69 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.718 HD11 ' O ' ' A' ' 13' ' ' LEU . 73.6 mt -56.42 -64.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.41 -35.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.6 mtt -69.3 -44.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 17.9 ttmm -64.84 -30.91 71.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 98.5 m-85 -120.39 25.64 9.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' ALA . 3.4 t-80 -64.07 124.1 84.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.895 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.8 Cg_endo -69.76 1.2 4.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.243 . . . . 0.0 112.372 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 2.0 m-20 -104.92 -34.75 7.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -95.28 -38.43 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -71.07 131.83 44.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -104.17 42.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.1 m -137.74 149.14 63.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.689 0.757 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -48.13 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -50.34 -46.55 55.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -47.85 -50.75 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -47.91 -40.39 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.63 -46.19 63.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HE3' ' CE1' ' A' ' 35' ' ' TYR . 2.9 mmmp? -50.99 -54.99 19.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -54.8 -29.14 53.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -62.02 -20.8 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -98.17 -22.71 16.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.668 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.4 mt -78.95 -50.23 18.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -55.58 -62.47 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -49.4 -39.82 33.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.515 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -64.64 -33.54 76.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.587 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 44.1 t80 -79.86 -54.08 6.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -40.05 -36.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.462 HG21 ' HE2' ' A' ' 9' ' ' TYR . 13.3 m -76.5 -41.26 47.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 13' ' ' LEU . 58.6 mt -92.45 12.82 21.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 56' ' ' TYR . 4.0 p -100.31 -38.14 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.29 -175.04 4.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.78 -66.12 0.94 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' OD1' ' C ' ' A' ' 63' ' ' ASN . 0.6 OUTLIER -57.01 -43.88 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -54.75 -51.02 66.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.415 ' NH2' ' O ' ' A' ' 19' ' ' ALA . 8.5 ttt180 -69.81 -30.98 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -65.65 -35.3 80.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.709 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.3 mt-10 -80.11 -45.49 18.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.639 ' CE1' ' CE2' ' A' ' 9' ' ' TYR . 77.3 t80 -60.92 -21.32 63.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -97.69 -46.15 6.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.709 HG22 ' HA ' ' A' ' 67' ' ' GLU . 2.7 t -65.7 -34.24 77.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' HG ' HG23 ' A' ' 70' ' ' THR . 28.7 mt -95.02 -39.34 10.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 76' ' ' PHE . . . 90.29 139.63 7.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.531 ' O ' HG23 ' A' ' 77' ' ' THR . 10.5 t60 -42.09 -45.77 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.7 p -51.36 -37.97 50.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -100.4 -65.04 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' ALA . 66.1 t80 -34.69 -40.91 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -129.87 75.11 1.63 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -107.86 91.42 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.26 153.3 6.87 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -151.35 147.96 27.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.349 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -123.59 -143.71 6.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -51.07 132.78 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 t -154.24 136.7 15.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.44 -93.53 1.53 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 91.46 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -128.23 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.8 m -85.38 171.31 11.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -114.63 122.62 47.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.86 0.362 . . . . 0.0 110.852 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 p -64.77 115.8 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.74 53.5 4.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.3 t -89.39 95.11 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.844 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 5' ' ' SER . 68.2 p -35.89 -53.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.26 -119.88 6.41 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.9 m -105.55 153.14 22.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.6 m-85 -40.59 -61.42 0.94 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' TYR . 25.6 m-85 -34.98 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 10.8 t0 -79.7 -52.34 8.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.7 mt -54.11 -42.41 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.838 ' O ' HD11 ' A' ' 31' ' ' LEU . 87.6 mt -81.13 -39.15 26.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.34 29.26 8.0 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.467 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.59 153.23 47.81 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.714 . . . . 0.0 111.134 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.506 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.4 Cg_endo -69.71 162.04 43.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -28.27 69.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -102.84 17.18 24.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -55.47 132.29 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.1 m -78.22 149.87 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.7 tt0 -35.85 -45.68 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -60.6 -44.12 96.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' SER . 39.1 mt-30 -60.74 -42.25 96.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 26.3 mt -67.36 -50.61 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -61.92 -35.25 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -74.04 -49.73 22.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.15 89.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.757 ' CD1' HG22 ' A' ' 52' ' ' ILE . 14.3 t80 -64.03 -65.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 28' ' ' PHE . 4.9 m170 -35.45 -59.35 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmp? -51.95 -46.79 64.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.838 HD11 ' O ' ' A' ' 13' ' ' LEU . 55.8 mt -57.71 -57.15 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -39.8 -37.65 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 10.2 mmt -72.91 -36.21 67.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' LEU . 18.5 ttpt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE1' ' HG3' ' A' ' 48' ' ' LYS . 98.1 m-85 -122.41 24.72 9.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.4 t-80 -61.18 125.13 83.24 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.73 -5.31 15.88 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.745 2.297 . . . . 0.0 112.338 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.7 -46.12 6.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -80.9 -39.56 26.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.616 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 13.8 t-20 -77.62 137.94 38.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -113.29 51.24 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -138.83 154.55 72.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -47.2 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.34 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -55.18 -42.89 73.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.616 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -51.09 -49.75 60.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -53.41 -42.05 66.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.38 -40.0 77.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 11.6 mmtm -57.04 -59.8 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 37.4 t80 -51.65 -39.32 57.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -53.72 -22.98 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -98.62 -30.45 12.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.757 HG22 ' CD1' ' A' ' 28' ' ' PHE . 4.1 mt -68.53 -44.18 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.08 -66.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -43.74 -36.04 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -66.88 -41.85 86.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.682 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 46.5 t80 -71.8 -50.61 28.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' TYR . 52.7 mt-10 -35.57 -48.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.414 HG23 ' CZ ' ' A' ' 76' ' ' PHE . 12.8 m -68.31 -50.16 55.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.675 HD12 HD12 ' A' ' 13' ' ' LEU . 19.0 mt -81.02 11.93 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' TYR . 30.5 t -92.27 -51.54 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -76.66 -175.0 3.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.49 -65.51 0.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -55.29 -41.02 71.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -61.13 -54.03 49.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.46 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 tttt -65.19 -45.27 85.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HA ' HG22 ' A' ' 70' ' ' THR . 11.5 mt-10 -70.78 -45.48 64.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.691 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 38.6 t80 -61.59 -10.24 7.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.24 -37.23 6.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.541 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -80.29 -21.17 42.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.159 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.4 mt -104.01 -48.24 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 128.4 -132.02 7.15 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.453 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -125.32 -51.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.5 t -70.93 -12.61 61.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.03 -68.56 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.068 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 58' ' ' THR . 7.5 t80 -41.63 -39.44 1.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.3 t -128.45 70.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -99.98 82.64 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.8 -118.86 3.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -88.64 -46.54 8.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.17 115.7 0.56 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -98.95 40.32 1.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 60.2 p -79.48 112.49 16.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.72 146.23 33.71 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.4 36.98 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.5 t -58.91 -60.2 4.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.6 m -47.71 162.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m 51.0 44.35 28.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.829 0.347 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -101.34 164.33 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.53 -177.87 1.29 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -138.13 175.13 9.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -146.11 162.11 38.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.65 -86.74 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.527 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.421 ' HA ' ' ND1' ' A' ' 73' ' ' HIS . 81.9 p -73.86 140.52 45.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.876 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 68' ' ' TYR . 13.9 m-85 -41.25 -60.96 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 30.4 m-85 -38.54 -36.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -75.66 -49.86 17.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.35 -41.45 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.702 ' O ' HD11 ' A' ' 31' ' ' LEU . 89.7 mt -81.68 -43.06 19.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.39 34.25 4.83 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.593 HG11 ' HA ' ' A' ' 24' ' ' ILE . 4.1 m -117.35 154.3 50.29 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.619 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.73 158.75 55.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.68 2.253 . . . . 0.0 112.364 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 36.6 mmtm -59.78 -26.23 65.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -108.26 18.37 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -53.48 137.04 37.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.08 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLN . 67.3 m -79.16 150.68 31.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.803 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -40.68 -35.82 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 12.3 ttm105 -73.4 -36.33 66.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 20' ' ' SER . 69.5 mt-30 -68.79 -35.74 77.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.593 ' HA ' HG11 ' A' ' 15' ' ' VAL . 20.9 mt -68.79 -58.18 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.63 -31.7 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 27.2 mmtt -68.55 -52.31 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.84 87.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.779 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.2 t80 -71.42 -53.38 14.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -40.66 -61.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 16.5 ptpt -52.67 -47.37 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.702 HD11 ' O ' ' A' ' 13' ' ' LEU . 68.7 mt -55.41 -64.73 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.17 -38.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.31 -49.63 66.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 25.0 tttm -62.6 -31.07 71.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 95.1 m-85 -114.22 22.17 14.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.3 t-80 -67.17 124.87 90.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.566 0.698 . . . . 0.0 110.868 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.2 Cg_endo -69.8 1.63 4.28 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.646 2.23 . . . . 0.0 112.342 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.447 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 27.3 m-20 -103.44 -41.34 6.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -90.67 -35.8 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -78.9 117.78 20.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -90.82 49.51 1.67 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 t -136.1 142.29 39.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.836 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.08 17.25 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.77 -36.04 77.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.92 -49.03 72.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -49.9 -36.63 28.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.09 -52.52 18.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -48.12 -52.56 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -54.09 -33.69 58.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.2 -22.15 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -97.28 -30.38 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.779 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -70.01 -46.84 71.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -62.32 -65.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -42.1 -43.87 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.645 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -58.47 -47.02 85.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 60' ' ' SER . 40.7 t80 -66.8 -47.29 72.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -39.46 -40.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.9 m -77.2 -49.45 15.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.613 HD12 HD12 ' A' ' 13' ' ' LEU . 37.8 mt -74.71 -1.36 21.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 56' ' ' TYR . 82.6 p -86.25 -56.1 3.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.97 154.17 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.14 -70.68 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -50.38 -47.17 56.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -53.51 -56.06 20.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.812 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -67.34 -27.09 66.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -60.44 -45.68 92.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.568 ' HA ' HG22 ' A' ' 70' ' ' THR . 6.6 mt-10 -74.57 -44.09 52.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 9' ' ' TYR . 84.0 t80 -60.55 -10.77 5.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -106.08 -45.02 4.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.568 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.3 t -73.59 -20.65 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -107.02 -42.01 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 116.3 -144.16 18.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 77' ' ' THR . 78.6 t60 -110.19 -61.08 1.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.7 p -63.18 -29.51 70.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.22 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -60.07 -22.39 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 73' ' ' HIS . 59.0 p -98.77 34.94 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.6 t -70.81 122.69 20.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.69 32.9 4.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -136.03 158.14 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.774 0.321 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -140.13 -177.38 15.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.516 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -109.05 134.26 51.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.806 0.336 . . . . 0.0 110.954 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 57.7 m -115.98 -44.64 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -43.28 149.77 0.58 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -25.9 27.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -98.39 135.38 40.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.3 p -125.71 145.83 50.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 m -132.13 170.5 14.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -60.47 122.96 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -126.35 1.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -169.74 174.03 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -65.16 -72.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.68 -123.4 6.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.3 m -99.46 163.88 12.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 13.8 m-85 -54.02 -59.23 4.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -42.27 -26.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -87.64 -40.59 14.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 74.9 mt -67.33 -47.17 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.844 ' O ' HD11 ' A' ' 31' ' ' LEU . 79.5 mt -74.89 -33.72 62.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.86 36.55 6.36 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.434 ' CG1' ' CB ' ' A' ' 27' ' ' ALA . 4.9 m -123.35 152.9 65.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.72 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.549 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.6 Cg_endo -69.81 155.88 64.64 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -59.06 -22.0 60.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.65 18.69 20.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.549 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.62 137.23 56.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.5 t -82.15 151.37 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' SER . 34.5 tt0 -34.76 -52.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -55.1 -45.11 75.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' SER . 12.5 mm100 -59.31 -43.52 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.9 mt -64.95 -54.07 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -57.4 -46.5 83.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -65.73 -44.32 86.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' CB ' ' CG1' ' A' ' 15' ' ' VAL . . . -63.41 -35.95 82.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.663 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 12.7 t80 -75.7 -55.55 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -43.11 -65.8 0.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.519 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -44.84 -50.45 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.844 HD11 ' O ' ' A' ' 13' ' ' LEU . 50.3 mt -55.3 -62.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.61 -34.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.3 mmt -68.62 -48.58 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' LEU . 31.1 tttt -63.9 -32.39 73.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 97.8 m-85 -113.6 21.59 14.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.1 t-80 -62.94 120.95 65.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.79 0.57 5.48 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 0.9 OUTLIER -100.98 -33.2 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -98.99 -39.91 8.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -69.3 130.45 42.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -107.17 56.14 0.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -145.31 143.63 20.83 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -17.25 37.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.283 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.27 -34.72 31.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.11 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.052 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -50.04 -41.58 47.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.85 -45.04 65.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.075 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.478 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -50.42 -56.34 11.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -56.61 -31.26 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -62.44 -20.31 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -98.65 -32.02 11.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.624 HG22 ' CD1' ' A' ' 28' ' ' PHE . 1.8 mt -70.05 -47.91 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.25 -66.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -43.86 -37.22 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -69.1 -43.91 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 28.1 t80 -68.44 -52.45 32.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.909 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 56' ' ' TYR . 6.3 mm-40 -35.37 -50.14 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 m -66.7 -42.76 85.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.76 HD12 HD12 ' A' ' 13' ' ' LEU . 70.9 mt -85.82 8.98 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.49 ' OG ' ' CZ ' ' A' ' 56' ' ' TYR . 23.1 t -99.33 -38.8 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -86.88 166.52 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.35 -71.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -50.33 -47.09 56.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.03 -55.61 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.26 -29.0 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -69.29 -43.07 74.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.696 ' HA ' HG22 ' A' ' 70' ' ' THR . 10.2 mt-10 -72.72 -44.93 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.791 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 42.8 t80 -60.69 -30.21 69.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -87.09 -44.24 11.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.696 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.0 t -68.6 -27.83 66.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.592 ' HG ' HG23 ' A' ' 70' ' ' THR . 16.1 mt -104.07 -45.46 4.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 121.1 -155.23 16.35 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.527 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.538 ' O ' HG23 ' A' ' 77' ' ' THR . 85.6 t60 -92.97 -52.61 4.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.8 t -78.14 -40.04 39.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -65.29 -39.52 92.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.078 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -72.22 -39.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.538 HG23 ' O ' ' A' ' 73' ' ' HIS . 51.0 p -84.26 51.21 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 t -90.62 123.9 34.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 99.49 49.29 1.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -111.22 99.67 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.57 -46.76 9.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -68.03 166.8 15.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.6 m -138.45 159.74 41.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.24 83.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 161.85 44.35 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.763 2.309 . . . . 0.0 112.289 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.5 m -119.04 110.67 17.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -133.82 84.61 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p 40.99 46.24 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.388 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 p -74.7 -44.84 48.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.95 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.454 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -87.6 143.16 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -92.42 108.04 19.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.804 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.494 ' O ' ' CE1' ' A' ' 73' ' ' HIS . . . -137.65 -58.14 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.453 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 62.3 m -104.08 155.71 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ASP . 15.1 m-30 -51.07 -62.12 1.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 9' ' ' TYR . 22.0 m-85 -36.92 -31.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 9' ' ' TYR . 0.9 OUTLIER -82.35 -47.19 12.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' TYR . 65.3 mt -59.69 -42.01 87.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 59' ' ' LEU . 82.8 mt -81.79 -37.56 26.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.15 32.51 7.41 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -122.68 152.34 61.86 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.648 0.737 . . . . 0.0 111.112 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 171.28 14.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.706 2.271 . . . . 0.0 112.39 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -29.6 66.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 82.8 p -93.27 5.21 52.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.46 131.28 13.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.5 m -83.23 154.39 24.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -38.81 -48.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -58.67 -38.86 79.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 20' ' ' SER . 13.3 mm100 -66.15 -47.08 75.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.1 mt -62.36 -53.33 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -54.73 -45.63 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -65.31 -43.4 91.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.92 99.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.072 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.748 ' CD1' HG22 ' A' ' 52' ' ' ILE . 49.3 t80 -71.22 -55.17 8.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -45.25 -66.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' CG ' ' N ' ' A' ' 31' ' ' LEU . 10.0 ptpt -45.95 -48.6 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.693 HD11 ' O ' ' A' ' 13' ' ' LEU . 37.2 mt -56.39 -63.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -37.15 -34.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.107 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 11.8 mmt -68.75 -44.63 73.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.564 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 26.3 tttp -65.27 -36.08 83.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.564 ' CE2' ' HD3' ' A' ' 34' ' ' LYS . 86.6 m-85 -110.09 17.81 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' ALA . 1.8 t-80 -58.5 119.86 39.87 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.405 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 54.2 Cg_endo -69.72 -3.55 12.22 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -96.47 -38.42 10.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -94.68 -35.39 12.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -75.04 121.36 21.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.87 47.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 t -133.52 143.05 46.28 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.2 8.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -66.09 -40.38 90.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -43.37 -45.58 6.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.35 -40.98 68.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.49 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -56.74 -53.62 55.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.478 ' HE2' ' HB1' ' A' ' 32' ' ' ALA . 42.6 t80 -54.57 -31.24 56.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -62.86 -21.32 65.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -96.03 -27.16 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.748 HG22 ' CD1' ' A' ' 28' ' ' PHE . 3.4 mt -73.22 -46.8 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' HA ' ' CE1' ' A' ' 28' ' ' PHE . . . -56.95 -64.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.083 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -46.07 -38.43 7.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -63.93 -46.76 83.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 60' ' ' SER . 50.9 t80 -68.79 -54.06 18.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' TYR . 7.8 mm-40 -34.47 -44.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.6 m -72.65 -48.28 40.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 13' ' ' LEU . 25.2 mt -83.09 11.78 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 56' ' ' TYR . 41.9 t -91.7 -53.68 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -76.02 -174.96 2.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.25 -65.2 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -54.23 -41.46 68.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -62.06 -54.87 35.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.99 -30.5 71.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -65.29 -48.25 73.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.501 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.6 mt-10 -65.2 -48.5 73.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 59' ' ' LEU . 69.6 t80 -56.83 -13.32 2.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -100.62 -44.03 5.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.4 t -75.0 -15.66 60.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.6 mt -110.77 -42.83 3.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.89 -179.16 25.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.576 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 27.2 t60 -87.64 -1.8 58.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.0 p -104.28 -25.07 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.04 -55.94 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -48.55 -27.21 2.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 36.7 p -94.62 48.71 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.6 p -84.12 107.18 16.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 132.36 -80.07 0.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -120.78 106.13 11.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.325 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -122.69 -158.0 10.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.478 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' SER . 12.8 tm0? -128.39 138.08 52.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.35 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.7 p -34.59 143.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -160.91 75.08 0.19 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.19 8.02 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.369 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -61.04 124.98 22.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.2 p -69.38 139.23 54.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.1 m -86.14 91.42 8.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t -111.11 147.39 34.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.83 93.78 0.21 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 m -100.86 138.4 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.1 p -79.84 161.93 25.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.75 -74.41 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -99.36 158.08 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.475 ' CD1' ' HA ' ' A' ' 55' ' ' ALA . 17.5 m-85 -50.93 -60.26 3.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 31.7 m-85 -39.18 -33.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.13 -44.91 19.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.59 -42.05 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.731 HD12 HD12 ' A' ' 59' ' ' LEU . 96.7 mt -82.32 -36.37 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.05 36.68 5.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 4.1 m -120.87 153.45 57.18 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.667 0.746 . . . . 0.0 111.118 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.597 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.83 159.83 51.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 26.8 mmtp -60.59 -23.65 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -109.52 19.33 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.597 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.15 129.27 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 3.1 t -76.46 154.16 34.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' SER . 15.5 tt0 -37.25 -53.07 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -54.91 -42.12 71.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.8 mt-30 -62.97 -43.48 98.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -67.85 -44.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -66.04 -38.35 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.3 mttm -70.88 -48.05 55.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.878 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.98 93.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.715 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.1 t80 -71.18 -54.22 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -42.95 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -43.31 -51.12 6.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 13' ' ' LEU . 49.8 mt -54.37 -64.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB1' ' HE2' ' A' ' 49' ' ' PHE . . . -36.24 -34.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.156 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' LEU . 14.4 mmt -70.93 -46.69 62.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 31' ' ' LEU . 29.5 tttt -63.96 -29.27 70.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.57 ' CE1' ' HD3' ' A' ' 48' ' ' LYS . 97.3 m-85 -119.81 24.45 10.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.7 t-80 -65.3 121.35 74.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 2.26 3.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.71 2.274 . . . . 0.0 112.384 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -109.23 -30.67 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -99.82 -38.8 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -72.54 -37.24 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.7 mttp 48.11 42.28 16.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.3 m -122.6 153.67 62.93 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.696 0.76 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -36.25 11.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.341 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.85 -35.98 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.68 80.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -44.75 -46.88 10.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.19 71.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -48.33 -62.36 1.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 53' ' ' ALA . 47.8 t80 -52.31 -36.05 52.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.86 -21.74 31.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -100.26 -30.72 11.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.653 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.6 mt -72.65 -43.94 61.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.43 -64.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.129 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -45.54 -37.11 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -65.84 -39.05 90.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.715 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 41.5 t80 -74.31 -51.07 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -37.71 -48.71 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.6 m -66.06 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.731 HD12 HD12 ' A' ' 13' ' ' LEU . 14.3 mt -82.72 12.53 4.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 56' ' ' TYR . 13.6 t -91.64 -53.29 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -73.66 -175.0 1.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -94.78 -65.81 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -55.11 -44.02 74.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -57.78 -54.83 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -64.63 -29.5 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -66.18 -49.5 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.744 ' HA ' HG22 ' A' ' 70' ' ' THR . 15.6 mt-10 -66.87 -36.89 83.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.535 ' CE2' HD21 ' A' ' 59' ' ' LEU . 80.0 t80 -63.0 -32.74 74.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -85.63 -45.76 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.744 HG22 ' HA ' ' A' ' 67' ' ' GLU . 4.3 t -65.91 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.131 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.609 ' HG ' HG23 ' A' ' 70' ' ' THR . 18.7 mt -102.54 -51.12 3.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.93 -138.58 11.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -113.72 -44.41 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -75.34 -40.14 58.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.88 -50.48 13.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -52.55 -33.93 47.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 28.8 p -84.54 50.21 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 t -98.07 114.8 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 156.19 -43.53 0.54 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -124.59 96.67 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.842 0.353 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.82 -140.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 58.33 40.74 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.1 t -114.43 -51.07 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.5 1.22 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 152.69 69.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.319 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.6 t -119.61 147.36 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.4 p -65.61 -46.23 80.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 m -101.98 41.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.381 . . . . 0.0 110.898 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p 44.64 39.85 3.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.88 125.33 3.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 t -59.9 -57.37 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 m -120.44 121.5 38.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.66 -75.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -81.06 145.29 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' TYR . 14.0 m-30 -40.65 -60.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' TYR . 23.0 m-85 -34.83 -36.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' TYR . 1.7 t70 -79.06 -47.9 15.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' TYR . 59.1 mt -57.1 -40.83 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.757 ' O ' HD11 ' A' ' 31' ' ' LEU . 79.0 mt -83.68 -39.96 19.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.42 32.27 5.81 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.506 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -118.43 152.6 51.15 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.594 0.711 . . . . 0.0 111.103 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.504 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.9 Cg_endo -69.83 159.64 52.61 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.341 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -29.43 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -99.76 17.2 21.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -60.04 141.62 55.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -85.01 159.02 20.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 24' ' ' ILE . 17.7 tt0 -49.18 -45.55 44.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -64.65 -28.77 69.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -76.76 -33.62 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 59' ' ' LEU . 20.8 mt -71.21 -57.03 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 12.8 pttp -54.31 -43.0 70.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 15.4 mtmt -63.17 -52.49 62.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.77 -36.63 77.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.133 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.758 ' CD1' HG22 ' A' ' 52' ' ' ILE . 6.1 t80 -71.26 -49.24 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 7.0 m170 -45.29 -63.3 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -46.99 -42.82 18.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 13' ' ' LEU . 76.7 mt -62.73 -62.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -38.86 -34.73 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 19.2 mmt -70.46 -41.14 73.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 31' ' ' LEU . 16.0 tttp -68.93 -26.75 65.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.913 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -121.76 24.14 9.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' ALA . 4.0 t-80 -66.44 124.83 89.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.7 Cg_endo -69.79 0.87 5.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -104.45 -42.55 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -89.14 -35.92 16.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 32.6 t-20 -79.7 110.12 14.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -82.14 43.52 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.1 m -131.85 144.09 51.79 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.3 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.3 -46.71 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -43.89 -48.08 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -46.19 -45.25 16.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.37 -44.51 78.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -54.59 -57.6 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -50.9 -39.53 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -52.53 -23.87 7.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -96.93 -29.21 13.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.758 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.2 mt -71.31 -47.46 59.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.21 -66.59 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -40.92 -42.33 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.432 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -58.1 -46.18 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.627 ' HD1' HG22 ' A' ' 24' ' ' ILE . 73.6 t80 -71.63 -52.96 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 57.8 mm-40 -34.45 -42.31 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.9 m -74.66 -48.01 28.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.646 ' HB2' HG21 ' A' ' 24' ' ' ILE . 11.6 mt -84.2 11.32 8.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 56' ' ' TYR . 5.1 p -90.79 -60.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' N ' ' OG ' ' A' ' 60' ' ' SER . 1.6 t70 -69.56 -177.57 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.16 -65.58 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.14 -42.74 73.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.8 mtt85 -58.37 -56.25 24.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -63.15 -34.48 77.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -39.09 87.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.695 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.3 mt-10 -72.63 -50.28 26.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 73' ' ' HIS . 48.5 t80 -59.23 -20.1 51.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.89 -40.17 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.695 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -75.92 -21.0 57.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.23 -42.05 4.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' HIS . . . 98.58 136.12 9.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.492 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 77' ' ' THR . 14.5 t60 -36.8 -47.06 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 t -54.9 -58.36 7.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -72.95 -61.8 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 49.8 t80 -34.78 -38.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 73' ' ' HIS . 69.6 p -84.82 48.91 1.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.3 p -98.44 132.99 43.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 100.33 -43.3 1.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -119.64 83.19 2.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -112.16 42.14 2.04 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -111.53 85.9 2.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.807 0.337 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.2 p -153.42 143.26 22.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.73 143.53 16.63 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.79 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.691 2.26 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.6 p -169.57 157.3 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.1 t -137.18 123.8 21.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -97.03 -47.94 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -127.8 115.77 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.96 148.36 18.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -95.96 113.22 24.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -54.26 150.75 8.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.819 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.26 -47.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 t -122.54 162.63 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 18.6 m-85 -61.86 -53.06 60.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -44.75 -24.45 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.34 -47.75 7.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 98.2 mt -57.75 -38.94 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 31' ' ' LEU . 95.5 mt -86.22 -42.75 13.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.951 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.78 35.23 4.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.67 155.15 50.88 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.616 0.722 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.546 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.0 Cg_endo -69.75 160.15 50.76 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.384 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -62.56 -25.93 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -108.01 20.64 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -56.42 152.38 11.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 23' ' ' GLN . 23.2 t -103.43 156.35 17.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -41.2 -43.42 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -60.42 -37.5 81.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' SER . 43.6 mt-30 -76.17 -44.17 39.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.475 HD13 ' HB3' ' A' ' 59' ' ' LEU . 46.5 mt -63.41 -38.3 81.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -73.36 -30.26 63.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -77.08 -51.07 11.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' HA ' ' CD ' ' A' ' 30' ' ' LYS . . . -59.17 -36.87 76.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.63 ' CD2' ' CG ' ' A' ' 56' ' ' TYR . 8.0 t80 -75.1 -58.32 3.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -42.46 -60.52 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' CD ' ' HA ' ' A' ' 27' ' ' ALA . 9.4 ptmt -50.03 -49.85 49.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 13' ' ' LEU . 32.1 mt -56.5 -63.33 1.23 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.09 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 31' ' ' LEU . 11.0 mmt -68.75 -48.37 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.1 ttmt -62.11 -34.09 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' CD ' ' A' ' 48' ' ' LYS . 98.4 m-85 -115.32 24.98 11.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.0 t-80 -63.89 120.76 66.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.581 0.705 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.408 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.5 Cg_endo -69.81 -2.77 10.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -103.21 -35.37 8.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -91.97 -37.98 12.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -74.97 129.01 36.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.1 tttm -97.89 40.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -134.3 145.55 55.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.68 0.752 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -46.45 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -42.49 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.13 -47.75 65.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -45.21 -44.25 10.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.42 83.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' CD ' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -54.34 -57.5 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.71 -31.43 62.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -59.16 -22.06 60.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -99.08 -30.94 12.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.626 HG22 ' CD1' ' A' ' 28' ' ' PHE . 2.1 mt -71.48 -46.06 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -60.4 -60.5 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -49.05 -33.4 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -68.41 -37.64 80.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.63 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 27.7 t80 -76.46 -47.27 23.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -38.9 -50.22 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.478 HG21 ' CD2' ' A' ' 68' ' ' TYR . 26.2 m -66.85 -49.54 65.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD12 HD12 ' A' ' 13' ' ' LEU . 60.7 mt -77.36 6.15 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.522 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 21.9 t -94.28 -48.55 6.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.46 161.27 28.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.87 -71.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -49.33 -45.6 45.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -58.02 -56.42 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -61.43 -29.97 70.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -69.39 -48.49 60.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.621 ' HA ' HG22 ' A' ' 70' ' ' THR . 17.7 mt-10 -67.06 -49.68 64.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.783 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 39.2 t80 -55.57 -16.36 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -98.81 -43.85 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.9 t -74.01 -17.35 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' HG ' HG23 ' A' ' 70' ' ' THR . 21.8 mt -111.12 -51.18 2.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 120.39 -147.26 17.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -111.44 -38.59 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.6 p -79.04 -25.43 43.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -93.05 -63.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 77' ' ' THR . 21.7 t80 -36.31 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.5 ' N ' ' CD1' ' A' ' 76' ' ' PHE . 4.9 t -98.12 51.24 1.03 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 p -54.33 141.62 29.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.65 -151.16 19.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -169.64 129.44 1.0 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -141.57 169.71 25.05 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.483 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -122.44 85.37 2.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 82.6 p -123.4 88.49 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.46 145.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.4 13.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.345 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.0 p -82.72 41.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.7 m 48.95 41.14 18.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.492 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -138.17 -178.81 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -158.77 171.19 20.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.43 92.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -40.51 -50.82 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -84.26 -49.54 8.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.47 -114.73 5.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.5 m -115.31 162.99 16.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.648 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 18.6 m-85 -55.3 -58.01 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 34.9 m-85 -41.65 -31.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -80.19 -47.13 15.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.496 HG21 ' HG3' ' A' ' 51' ' ' GLU . 64.1 mt -60.81 -45.76 97.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.798 HD12 HD12 ' A' ' 59' ' ' LEU . 90.1 mt -76.85 -33.58 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.61 35.28 7.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG13 ' CB ' ' A' ' 27' ' ' ALA . 2.4 m -120.81 156.17 56.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.122 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.635 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.5 Cg_endo -69.77 159.71 52.39 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 73.1 mmtt -60.42 -25.63 66.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -110.99 24.39 12.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.635 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -60.39 138.78 57.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.475 ' HB3' ' NE2' ' A' ' 23' ' ' GLN . 46.8 t -84.13 157.79 21.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -43.56 -40.54 4.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.34 -45.62 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.475 ' NE2' ' HB3' ' A' ' 20' ' ' SER . 1.3 mp0 -65.03 -39.8 93.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.5 HD13 ' O ' ' A' ' 59' ' ' LEU . 21.0 mt -67.94 -52.56 38.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.104 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -57.0 -44.97 83.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -68.49 -51.62 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' CB ' HG13 ' A' ' 15' ' ' VAL . . . -54.71 -39.46 68.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.735 ' CD1' HG22 ' A' ' 52' ' ' ILE . 13.3 t80 -75.75 -51.74 12.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -42.8 -60.18 1.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 31' ' ' LEU . 18.9 ptpt -51.55 -44.78 62.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 HD11 ' O ' ' A' ' 13' ' ' LEU . 55.7 mt -59.97 -65.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -36.34 -37.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.115 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 12.5 mmt -68.02 -43.96 77.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 31' ' ' LEU . 15.4 ttmm -64.47 -37.76 88.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.907 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.502 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 84.2 m-85 -109.86 22.86 15.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' ALA . 6.1 t-80 -65.67 137.65 96.39 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.593 0.711 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 36' ' ' HIS . 54.0 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -84.66 -51.83 6.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -67.27 -41.51 85.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -85.38 125.05 32.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -91.86 16.31 11.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.508 ' OG ' ' HB2' ' A' ' 45' ' ' ALA . 94.5 p -101.42 147.07 33.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.86 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -45.96 1.37 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.71 -36.68 72.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.508 ' HB2' ' OG ' ' A' ' 42' ' ' SER . . . -45.99 -56.53 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -47.43 -40.93 19.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.84 -52.6 59.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.502 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 20.6 mmmt -47.68 -53.98 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -54.69 -32.21 59.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -58.93 -21.59 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.496 ' HG3' HG21 ' A' ' 12' ' ' ILE . 1.4 pt-20 -97.04 -31.5 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.735 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.3 mt -70.64 -49.45 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -54.32 -59.89 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -48.52 -40.9 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.498 ' HA ' ' CD1' ' A' ' 9' ' ' TYR . . . -61.83 -43.63 98.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.139 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 60' ' ' SER . 30.0 t80 -67.93 -53.41 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' TYR . 42.6 mt-10 -34.43 -48.74 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.3 m -68.15 -41.56 81.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.798 HD12 HD12 ' A' ' 13' ' ' LEU . 22.2 mt -91.01 14.26 14.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 56' ' ' TYR . 28.1 t -94.47 -51.16 4.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.801 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -76.99 -174.94 3.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -93.34 -66.29 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.425 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 3.8 m-80 -55.42 -45.84 76.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -55.36 -53.45 56.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.42 -35.6 81.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -63.04 -39.91 96.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.732 ' HA ' HG22 ' A' ' 70' ' ' THR . 9.8 mt-10 -74.03 -45.82 47.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.648 ' CE1' ' CD2' ' A' ' 9' ' ' TYR . 48.9 t80 -63.62 -12.8 36.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -106.29 -35.24 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.838 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.732 HG22 ' HA ' ' A' ' 67' ' ' GLU . 3.2 t -79.8 -23.34 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.438 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 28.7 mt -103.77 -48.3 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 119.69 167.87 13.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -65.76 -49.05 69.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.797 0.332 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -75.55 -28.35 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -78.85 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.107 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -47.51 -40.23 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 p -82.76 48.39 1.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.4 m -126.53 38.38 4.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -115.83 171.33 13.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -142.07 160.84 39.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -171.28 -109.89 0.23 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -79.31 112.87 16.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -90.72 142.83 27.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 85' ' ' PRO . . . 107.73 95.79 2.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.507 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 84' ' ' GLY . 53.8 Cg_endo -69.78 -35.42 12.61 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.0 t -140.96 105.35 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.5 m -75.01 96.81 3.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.453 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t 60.15 42.59 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -79.14 163.32 25.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.85 49.77 0.82 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -66.93 163.7 19.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.3 p -150.0 128.11 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.02 -80.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.518 ' HA ' ' CE1' ' A' ' 73' ' ' HIS . 14.8 m -95.96 156.15 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 68' ' ' TYR . 8.3 m-30 -46.5 -62.96 1.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' CG ' ' HE3' ' A' ' 17' ' ' LYS . 28.8 m-85 -37.97 -34.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -46.71 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.3 mt -56.81 -38.24 57.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD12 HD12 ' A' ' 59' ' ' LEU . 93.8 mt -89.97 -37.77 14.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.15 28.24 8.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.01 153.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.081 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.502 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 53.8 Cg_endo -69.81 159.13 54.49 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.622 2.215 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.527 ' HE3' ' CG ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.63 -30.9 69.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -101.71 18.83 19.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -55.23 138.51 44.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 23' ' ' GLN . 2.0 t -85.07 147.82 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' SER . 23.4 tt0 -35.54 -42.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -60.79 -45.9 92.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 20' ' ' SER . 46.3 mt-30 -65.11 -44.49 88.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 59' ' ' LEU . 25.8 mt -56.46 -57.4 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' HA ' ' CE1' ' A' ' 56' ' ' TYR . 8.5 ptmt -64.32 -33.08 75.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -63.41 -52.2 62.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.76 -44.71 85.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.756 ' CD1' HG22 ' A' ' 52' ' ' ILE . 19.8 t80 -59.33 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . 7.8 m-70 -36.86 -66.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -43.97 -51.65 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 34' ' ' LYS . 38.9 mt -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -34.77 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 31' ' ' LEU . 13.2 mmt -68.59 -47.24 67.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.583 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 7.4 tmtm? -64.09 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.654 ' CD2' HD11 ' A' ' 52' ' ' ILE . 72.5 m-85 -104.03 11.4 35.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' ALA . 9.7 t-80 -54.45 129.1 61.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.614 0.721 . . . . 0.0 110.826 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.8 24.51 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.25 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -97.0 -25.0 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 -49.41 4.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 45' ' ' ALA . 4.9 m-20 -73.26 106.73 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -82.58 49.96 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -135.48 152.63 76.8 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 0.0 110.802 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.97 9.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.632 2.221 . . . . 0.0 112.381 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.28 -40.43 93.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 40' ' ' ASN . . . -47.67 -54.44 12.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -46.97 -51.1 17.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.46 81.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 35' ' ' TYR . 1.8 mmpt? -46.93 -58.96 3.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -51.32 -36.87 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -53.25 -25.41 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -97.25 -28.19 14.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.756 HG22 ' CD1' ' A' ' 28' ' ' PHE . 5.5 mt -71.45 -43.87 72.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' HA ' ' CZ ' ' A' ' 28' ' ' PHE . . . -61.29 -67.93 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -38.86 -47.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -55.18 -40.35 70.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.583 ' CG ' ' CD2' ' A' ' 28' ' ' PHE . 58.4 t80 -74.6 -47.59 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -49.56 -49.23 47.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.3 m -64.53 -55.1 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.619 ' O ' HD13 ' A' ' 24' ' ' ILE . 71.7 mt -69.78 -8.44 48.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' TYR . 2.5 m -82.48 -55.2 4.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.68 175.59 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -87.89 -70.89 0.6 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -53.18 -34.27 56.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -70.05 -53.47 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -64.43 -29.67 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -77.17 -59.37 2.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.683 ' HA ' HG22 ' A' ' 70' ' ' THR . 4.6 mm-40 -51.75 -31.33 26.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.761 ' CE2' ' CE2' ' A' ' 9' ' ' TYR . 32.8 t80 -75.47 -22.77 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.906 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -95.31 -26.28 15.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.683 HG22 ' HA ' ' A' ' 67' ' ' GLU . 5.9 t -85.02 -37.79 19.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.518 ' HG ' HG23 ' A' ' 70' ' ' THR . 11.5 mt -91.5 -40.81 11.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 118.55 -171.31 14.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.514 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 8' ' ' SER . 57.6 t60 -86.33 -42.59 13.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 t -82.6 -32.67 28.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' LEU . . . -72.39 -58.72 3.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -54.31 -27.73 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 50.7 p -90.26 51.51 2.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.6 t -106.36 83.3 1.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 138.03 -64.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -116.06 83.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -135.01 -161.75 9.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -158.71 154.46 26.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.6 m -90.54 -49.73 6.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.55 79.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 162.4 42.18 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.1 t -149.83 142.68 24.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.5 t -87.9 140.95 28.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -82.85 145.16 29.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -45.7 139.38 4.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.23 54.77 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.479 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -76.68 155.86 33.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 12' ' ' ILE . 82.9 p -80.07 -46.61 16.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.04 -103.37 1.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.7 m -124.02 155.61 37.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.537 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 14.9 m-30 -50.45 -61.25 2.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.512 ' CD2' ' HD3' ' A' ' 17' ' ' LYS . 48.7 m-85 -36.76 -36.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -78.22 -43.04 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.492 HD11 ' HB2' ' A' ' 6' ' ' SER . 75.2 mt -61.89 -47.61 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.769 ' O ' HD11 ' A' ' 31' ' ' LEU . 61.6 mt -75.6 -36.08 60.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.44 33.23 5.99 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 24' ' ' ILE . 9.4 m -116.87 154.19 49.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.536 ' CD ' ' HB2' ' A' ' 19' ' ' ALA . 54.1 Cg_endo -69.72 156.89 62.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 10' ' ' TYR . 32.1 mmtm -56.2 -33.92 65.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -101.12 22.44 12.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HB2' ' CD ' ' A' ' 16' ' ' PRO . . . -57.98 141.52 49.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' GLN . 57.6 m -91.4 148.79 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' SER . 21.0 tt0 -36.11 -34.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' SER . 31.2 ttm180 -66.71 -49.76 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' SER . 51.3 mt-30 -65.08 -38.36 90.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.541 ' HA ' HG11 ' A' ' 15' ' ' VAL . 23.4 mt -59.35 -56.6 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.3 OUTLIER -67.07 -32.33 73.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -65.9 -49.63 67.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.9 -44.06 86.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.775 ' CD1' HG22 ' A' ' 52' ' ' ILE . 5.1 t80 -62.42 -64.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 25' ' ' LYS . 9.2 m-70 -36.24 -58.82 0.66 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -52.72 -46.75 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.769 HD11 ' O ' ' A' ' 13' ' ' LEU . 45.7 mt -59.19 -60.4 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' HIS . . . -35.9 -34.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' LEU . 10.1 mmt -68.88 -46.05 69.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' LEU . 35.0 tttp -67.12 -27.89 67.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.526 ' CE1' ' HE2' ' A' ' 48' ' ' LYS . 97.3 m-85 -118.15 24.04 11.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' ALA . 2.6 t-80 -66.87 122.63 83.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.406 ' HD2' ' ND1' ' A' ' 36' ' ' HIS . 53.9 Cg_endo -69.7 -0.42 6.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.37 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 1.2 m-20 -105.28 -33.24 8.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -96.51 -39.39 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' A' ' 45' ' ' ALA . 17.9 t-20 -76.12 115.75 16.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.49 42.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -128.8 142.27 44.45 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 0.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.83 29.2 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.255 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -73.66 -35.1 65.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB2' ' ND2' ' A' ' 40' ' ' ASN . . . -55.27 -40.64 71.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -56.41 -41.84 77.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.79 -50.6 41.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' HE2' ' CE1' ' A' ' 35' ' ' TYR . 26.9 mmmt -50.1 -55.35 15.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -52.5 -37.57 57.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.1 tpt180 -55.83 -22.06 22.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -97.69 -31.8 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.775 HG22 ' CD1' ' A' ' 28' ' ' PHE . 4.9 mt -67.29 -44.47 87.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.99 -67.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -40.29 -40.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 9' ' ' TYR . . . -60.89 -45.2 95.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' GLU . 41.9 t80 -69.27 -58.13 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' TYR . 63.1 mm-40 -34.49 -49.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.3 m -66.87 -49.36 65.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD11 ' HB2' ' A' ' 9' ' ' TYR . 60.2 mt -78.1 6.36 8.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' TYR . 33.0 t -94.87 -47.97 6.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.1 157.11 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.12 -66.98 0.61 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -51.74 -45.83 63.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.2 mtt180 -55.65 -57.54 11.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.5 ttt180 -62.32 -33.05 73.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.4 tttt -61.24 -37.61 83.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.564 ' HA ' HG22 ' A' ' 70' ' ' THR . 12.0 mt-10 -79.75 -44.33 20.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -61.96 -19.25 62.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -95.66 -40.09 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.564 HG22 ' HA ' ' A' ' 67' ' ' GLU . 1.7 t -77.48 -23.34 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -104.11 -52.01 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.04 -147.76 16.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -113.1 -24.01 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -96.51 -25.96 15.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.04 -49.77 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -52.07 -64.24 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 77' ' ' THR . 4.4 t -105.4 71.52 0.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 t -92.86 164.03 13.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.46 -39.31 2.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -68.35 -57.78 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.347 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.7 -135.25 15.89 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.44 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -157.09 149.35 22.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.8 m -69.17 -65.57 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 145.81 83.96 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 179.59 3.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.268 . . . . 0.0 112.384 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -81.92 145.52 30.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -131.47 156.24 45.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.471 179.987 . . . . . . . . 0 0 . 1 stop_ save_