data_2dmt_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 2dmt _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 ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 96.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.949 0.404 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' GLU . 73.7 p -80.67 145.08 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' THR . 41.8 mm-40 -37.44 -41.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.43 -54.83 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.08 -52.7 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -54.15 -48.37 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttp -48.63 -46.79 40.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.89 62.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 37.0 mt -57.15 -42.57 81.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.91 -38.23 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.1 -51.63 67.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.4 mmt-85 -61.27 -65.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.58 -57.11 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -46.11 -54.48 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.77 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -129.22 98.76 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.61 121.17 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 61' ' ' VAL . 24.7 mt -80.43 171.76 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 m -92.87 174.41 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.89 -59.13 11.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.118 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.77 -44.25 2.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -62.31 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.7 ttm105 -42.4 -36.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.43 -54.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -46.75 -42.12 16.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.79 -57.25 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.71 -24.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.64 -31.47 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -44.59 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -88.67 -23.06 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.35 19.77 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.24 175.5 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' GLN . 33.0 m -100.4 133.57 44.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' SER . 35.0 mt-30 -35.36 -43.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.33 -45.7 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.485 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 15.9 mm-40 -44.31 -64.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.533 HG12 ' CE1' ' A' ' 65' ' ' TYR . 21.5 t -49.33 -53.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -49.98 -61.85 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -61.54 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.512 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.4 t90 -37.98 -46.13 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE1' HG12 ' A' ' 61' ' ' VAL . 4.1 m-85 -57.67 -69.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' TYR . 29.9 mt-30 -36.0 -52.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -55.42 -45.02 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' TYR . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.973 0.416 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' GLU . 6.9 p -83.52 154.96 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' THR . 35.0 mt-10 -37.19 -48.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.76 -58.33 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.39 -51.35 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -39.48 76.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ttp -55.77 -45.11 78.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.27 -35.75 52.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 15.4 mt -61.68 -43.62 98.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -71.62 -34.17 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -62.71 -53.89 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -64.77 -44.53 89.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.3 t80 -62.25 -41.39 98.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.52 -54.77 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.72 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' TYR . 29.8 tt0 -133.99 91.31 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 17.3 mmtm -37.33 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' GLN . 1.7 m-85 -124.04 -179.68 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' CG1' ' A' ' 61' ' ' VAL . 88.4 mt -147.7 132.52 18.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -64.66 171.86 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -55.67 -59.13 12.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.619 0.723 . . . . 0.0 111.148 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.75 -18.06 37.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -73.76 -65.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -43.95 -35.76 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.41 -56.18 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -47.05 -49.75 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.7 tp -60.78 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.14 -27.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' LEU . 6.9 mt-10 -83.39 -42.09 17.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 30.6 m -57.75 -53.46 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.2 mt -81.39 -24.51 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.09 3.68 56.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -75.86 170.72 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLN . 3.8 m -102.93 141.47 35.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' SER . 46.2 mt-30 -36.4 -42.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.97 -45.71 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' SER . 5.3 mm-40 -46.33 -64.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 65' ' ' TYR . 46.4 t -52.79 -54.32 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -47.12 -63.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.45 HG22 ' ND2' ' A' ' 67' ' ' ASN . 85.0 m -62.64 -63.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 31.7 t90 -37.86 -47.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CE1' HG11 ' A' ' 61' ' ' VAL . 5.6 m-85 -60.89 -64.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' TYR . 54.3 mt-30 -34.78 -57.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.45 ' ND2' HG22 ' A' ' 63' ' ' THR . 70.3 m-80 -57.82 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CE1' ' OE1' ' A' ' 60' ' ' GLN . 89.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 4.1 p -85.6 151.99 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 40.1 mt-10 -37.42 -38.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.27 -66.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -47.12 -38.28 11.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.8 -40.5 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 ttp -62.78 -37.53 87.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.22 -39.73 11.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.9 -45.92 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.56 -42.39 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -53.6 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.63 -63.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.1 t80 -39.46 -41.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.24 -54.56 19.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -54.32 -43.84 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.2 tt0 -133.23 101.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLN . 45.7 mmtt -36.87 -35.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 3.6 m-85 -128.34 -177.07 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.483 HD13 ' CZ ' ' A' ' 65' ' ' TYR . 82.2 mt -143.58 137.57 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -68.48 176.78 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.63 -59.18 11.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.688 . . . . 0.0 111.126 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.2 Cg_endo -69.68 -40.56 5.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.91 -56.74 13.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -49.74 -40.45 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.79 -62.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -38.45 -49.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 tp -62.09 -58.72 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.94 -30.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.24 -34.13 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.2 t -69.84 -42.21 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.4 mt -90.09 -28.11 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.66 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 mt -97.48 167.95 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.1 m -93.55 139.04 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' SER . 45.7 mt-30 -36.79 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.4 tp -64.75 -55.48 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.506 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 8.1 mm-40 -37.87 -58.64 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG11 ' CD1' ' A' ' 65' ' ' TYR . 87.5 t -57.19 -56.32 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -45.87 -62.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' TRP . 26.6 m -65.39 -62.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 76.4 t90 -37.85 -44.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.4 m-85 -61.81 -58.52 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -48.89 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.05 -18.74 48.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 33.7 mmt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 p -78.43 163.0 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.88 -44.27 14.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.79 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.403 ' NE2' HD23 ' A' ' 56' ' ' LEU . 89.7 mt-30 -47.5 -47.56 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 mt -63.31 -47.15 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.0 ttp -46.73 -41.44 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.94 -39.72 16.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 47.5 mt -59.69 -41.5 90.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -67.78 -41.09 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -62.84 -59.44 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 14.9 mmm180 -56.49 -46.35 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.3 t80 -61.51 -47.84 83.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.1 -54.77 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -55.78 -52.71 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.6 tt0 -122.0 95.6 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 16.6 mmmt -34.34 -40.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.16 125.06 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 4.8 mt -83.09 148.49 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.1 -176.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.13 13.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.76 -47.39 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -57.28 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -49.73 -46.63 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.89 -61.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -38.23 -48.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' SER . 7.3 tp -61.3 -65.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -36.43 -35.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -77.29 -42.99 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' LEU . 47.8 t -59.35 -44.6 92.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 50' ' ' LEU . 95.9 mt -87.63 -25.95 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.25 -5.54 38.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' ALA . 23.9 mt -77.55 174.84 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -107.4 156.12 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -47.7 -30.12 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' GLN . 59.6 tp -63.68 -61.49 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.9 mm100 -34.69 -59.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 65' ' ' TYR . 48.3 t -52.14 -55.94 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -64.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -60.51 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 38.6 t90 -38.1 -44.95 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CZ ' HD12 ' A' ' 42' ' ' LEU . 4.3 m-85 -62.42 -62.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -44.45 -52.49 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -58.26 -51.83 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.63 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 68.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 69.8 p -103.66 148.17 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 43.4 mt-10 -36.06 -41.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.08 -58.56 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -50.28 -44.94 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.95 -47.04 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttp -52.96 -42.66 65.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.58 -55.73 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -44.45 -47.29 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.7 -41.79 87.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -52.71 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -67.19 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 4.2 t80 -37.56 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -62.97 -49.45 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -61.03 -50.15 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.6 tt0 -126.61 98.76 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 22.9 mmtt -36.2 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' GLN . 29.0 m-85 -132.31 -178.51 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 65' ' ' TYR . 47.9 mt -145.14 142.25 29.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -69.15 -175.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -63.21 -59.17 12.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.189 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.76 -43.88 2.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -60.16 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -46.73 -41.85 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.456 HG12 ' NE2' ' A' ' 58' ' ' GLN . 52.9 mt -62.97 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.5 tp -64.02 -60.92 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.2 -29.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -78.11 -35.29 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.1 t -68.45 -42.56 78.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -25.95 21.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 31.67 11.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -103.35 176.31 5.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.0 m -99.62 136.64 39.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' NE2' HG12 ' A' ' 48' ' ' ILE . 80.3 mt-30 -37.7 -42.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.93 -43.6 81.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.63 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 14.6 mm100 -45.07 -58.9 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 65' ' ' TYR . 99.3 t -55.3 -54.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -46.23 -65.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 ' ND2' ' A' ' 67' ' ' ASN . 43.7 m -63.81 -61.31 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 71.1 t90 -37.94 -47.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.4 m-85 -59.54 -55.71 31.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.37 -51.99 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.436 ' ND2' HG22 ' A' ' 63' ' ' THR . 31.4 m-80 -56.68 -20.79 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 6.2 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.541 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 29.9 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -89.32 168.7 12.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.31 -35.63 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 tp -70.53 -59.26 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -54.29 -46.38 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.75 -48.62 80.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.9 ttp -46.11 -42.48 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.27 -49.42 6.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 19.0 mt -53.98 -33.01 55.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -76.33 -37.13 57.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -65.97 -37.31 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -76.89 -48.92 16.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.4 t80 -59.37 -42.9 92.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.76 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -75.46 -55.4 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.9 tt0 -124.39 108.87 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.5 mmtm -36.58 -41.17 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -134.44 142.66 47.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.23 125.53 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -53.3 161.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -39.52 -59.2 1.69 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.625 0.726 . . . . 0.0 111.166 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.78 -44.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.35 -60.71 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -47.4 -38.61 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.58 -57.77 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -44.31 -41.39 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' SER . 12.6 tp -68.14 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.65 -27.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.42 -40.48 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m -57.88 -49.56 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.56 -28.33 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.39 29.06 9.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 mt -93.93 -178.58 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' LEU . 26.9 t -103.95 136.06 44.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -38.32 -29.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' SER . 26.7 tp -67.3 -50.54 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.541 ' OE1' ' CE2' ' A' ' 24' ' ' PHE . 36.0 mt-30 -39.6 -61.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.544 HG12 ' CE1' ' A' ' 65' ' ' TYR . 24.2 t -55.82 -51.83 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -50.34 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.6 m -61.92 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.529 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 32.3 t90 -38.11 -47.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.544 ' CE1' HG12 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.53 -69.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -40.51 -46.66 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -63.22 -34.9 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' TYR . 19.9 mmt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLU . 46.5 p -77.48 146.53 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' THR . 18.9 mt-10 -37.87 -44.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.65 -53.3 53.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' OE1' ' CG ' ' A' ' 56' ' ' LEU . 31.4 mm-40 -55.76 -45.06 78.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttp -57.64 -37.85 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.18 -50.4 5.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.1 mt -54.07 -38.09 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -73.33 -35.85 66.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -34.36 77.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -79.46 -44.44 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 4.2 t80 -64.72 -50.93 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.0 pt-20 -53.81 -47.17 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 17.9 mtpp -64.16 -56.68 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -121.95 110.63 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -41.96 -42.65 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -126.98 157.7 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 61' ' ' VAL . 60.0 mt -114.84 146.95 40.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -72.69 157.5 37.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -41.88 -59.1 2.75 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.549 0.69 . . . . 0.0 111.128 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.8 Cg_endo -69.8 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.7 m-20 -52.5 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 18.5 ttp-105 -38.1 -36.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.07 -54.33 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -44.68 -46.51 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' SER . 9.9 tp -65.1 -57.73 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.5 -25.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.01 -29.97 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.2 t -68.64 -44.85 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.79 -28.45 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.52 30.17 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.454 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 14.9 mt -96.55 170.59 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.4 m -97.58 131.78 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' SER . 49.8 mt-30 -34.24 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' SER . 33.9 tp -61.22 -51.9 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 16.3 mm-40 -41.24 -59.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 65' ' ' TYR . 27.1 t -57.21 -56.23 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -46.55 -62.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -64.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.543 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 76.6 t90 -37.81 -48.05 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.1 m-85 -58.34 -62.26 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -45.03 -56.13 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -52.04 -44.44 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.543 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 16.1 mmm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.967 0.413 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.9 p -85.41 160.11 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -48.24 -41.65 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.68 -56.69 9.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.423 ' CD ' HD22 ' A' ' 56' ' ' LEU . 96.0 mt-30 -52.22 -49.66 63.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.78 -49.47 76.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.7 ttp -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.9 -48.11 62.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 49.2 mt -57.86 -41.5 82.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -68.53 -46.22 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -57.05 -43.37 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 mmt-85 -73.46 -46.92 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 4.2 t80 -60.26 -27.28 67.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -73.31 -53.58 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -65.7 -49.31 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 7.3 tt0 -117.8 103.82 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -47.91 -42.1 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.8 117.99 15.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD11 ' CZ ' ' A' ' 65' ' ' TYR . 15.1 mt -76.76 144.3 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 m -66.83 -177.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -59.28 -59.13 14.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.573 0.701 . . . . 0.0 111.179 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.8 -44.38 2.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -45.41 -63.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 59.4 ttp180 -42.36 -42.98 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.34 -62.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.61 -43.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' SER . 12.5 tp -67.67 -65.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.27 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' LEU . 29.3 mm-40 -81.21 -42.43 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' LEU . 73.8 m -55.92 -50.37 70.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -83.48 -24.22 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.0 -3.83 48.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD22 ' CD ' ' A' ' 28' ' ' GLN . 62.7 mt -74.88 175.92 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.3 m -105.21 165.55 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -54.65 -36.56 64.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 60' ' ' GLN . 28.2 tp -56.95 -60.48 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.7 mm-40 -34.44 -64.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 65' ' ' TYR . 81.6 t -53.59 -56.6 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.409 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 40.2 tttt -46.96 -64.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -60.94 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 26.7 t90 -37.86 -48.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.483 ' CD1' HG12 ' A' ' 61' ' ' VAL . 4.1 m-85 -58.03 -57.08 14.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.13 -57.0 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -54.96 -19.6 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 22.5 mmm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 59.5 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 p -82.71 164.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -49.71 -41.55 43.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.52 -55.9 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.508 ' N ' HE21 ' A' ' 28' ' ' GLN . 1.7 mm-40 -55.3 -53.82 51.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.65 -39.82 85.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.8 ttp -48.89 -41.01 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.24 -48.8 5.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.5 mt -48.38 -44.1 34.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.64 -41.98 83.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -61.01 -57.91 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' PHE . 42.2 mmt-85 -59.42 -65.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.3 t80 -37.07 -56.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.66 -54.64 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.15 -34.19 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' CD ' HD22 ' A' ' 42' ' ' LEU . 2.4 pt20 -143.45 116.6 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -54.14 -15.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.408 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 3.4 m-85 -150.97 -176.1 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 39' ' ' GLN . 8.3 mt -149.36 137.79 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -58.37 174.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.92 -59.16 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.8 -39.94 5.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -59.26 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.3 ttm105 -52.56 -31.25 35.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.9 mt -72.44 -47.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.74 -45.1 78.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.93 -57.0 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.21 -34.6 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -65.85 -50.0 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.48 ' HB3' ' NE2' ' A' ' 28' ' ' GLN . 33.1 mt -83.77 -29.03 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 11.62 41.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 28' ' ' GLN . 14.6 mt -81.09 -177.91 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.5 t -109.42 136.64 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' SER . 39.0 mt-30 -34.36 -46.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.48 -45.88 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.497 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.2 mm-40 -44.77 -67.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.565 HG13 ' CD1' ' A' ' 65' ' ' TYR . 60.5 t -48.71 -50.27 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -50.63 -62.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.2 m -63.25 -63.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 65.8 t90 -37.72 -44.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CD1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -62.34 -65.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -38.38 -53.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.89 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 3.9 mmp_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -95.89 148.83 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.41 -37.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.08 -48.03 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.411 ' CD ' HD23 ' A' ' 56' ' ' LEU . 93.5 mt-30 -61.94 -47.93 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.58 -45.2 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.16 -42.99 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.91 -54.65 5.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 15.9 mt -46.57 -42.28 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.02 -50.14 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -48.72 -50.13 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -68.35 -62.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.0 t80 -41.4 -39.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.29 -46.53 73.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -42.03 97.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.95 92.02 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 26.4 mmtm -33.9 -40.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -123.66 159.44 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 73.5 mt -124.56 158.81 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t -82.97 165.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.99 -59.03 8.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -57.68 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -43.93 -41.06 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -64.25 -55.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.53 -50.51 23.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.1 tp -61.06 -57.69 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.7 -32.86 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.45 -34.7 60.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.1 t -66.27 -45.37 80.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.59 -27.27 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.11 29.47 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 32' ' ' LEU . 89.8 mt -102.94 174.72 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.1 m -97.7 142.15 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.9 -40.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -43.27 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -47.6 -63.03 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 65' ' ' TYR . 59.7 t -53.9 -40.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -59.16 -62.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' TRP . 54.7 m -66.94 -58.98 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 22.2 t90 -37.87 -48.99 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CD1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -58.69 -65.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' TYR . 33.8 tt0 -36.99 -42.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -70.82 -51.57 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 1.4 mmp_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 52.5 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -100.73 155.18 18.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -45.51 -42.29 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.31 -54.52 23.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' CD ' HD22 ' A' ' 56' ' ' LEU . 65.9 mt-30 -53.47 -48.38 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.01 -46.67 89.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.98 -44.85 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -46.89 20.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 26.0 mt -51.42 -49.66 61.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.15 -42.96 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -48.89 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' PHE . 10.6 mmt180 -70.62 -65.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.9 t80 -37.32 -49.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -65.25 -58.99 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -110.49 93.66 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -39.69 -37.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -138.37 116.32 11.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 13.5 mt -74.28 178.17 5.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -102.3 169.86 8.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.57 -59.15 7.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.154 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.79 -46.09 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.31 -55.78 14.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -44.05 -38.32 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.83 -59.2 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.66 -50.36 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' SER . 15.2 tp -63.1 -60.41 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -76.81 -35.74 57.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 45.7 m -63.23 -46.51 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.7 mt -88.19 -25.26 23.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 33.91 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 28' ' ' GLN . 73.7 mt -100.66 177.68 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.2 m -99.88 130.67 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' SER . 57.3 mt-30 -34.29 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.9 tp -62.56 -49.26 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.599 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.6 mm-40 -41.27 -56.56 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 65' ' ' TYR . 71.6 t -54.58 -58.46 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -46.83 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.5 m -62.06 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.549 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.7 t90 -37.87 -45.05 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE1' HG11 ' A' ' 61' ' ' VAL . 4.0 m-85 -60.66 -59.2 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -40.72 -60.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -57.0 -49.05 76.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.943 0.401 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' GLU . 60.3 p -103.75 143.01 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' THR . 47.3 mt-10 -35.94 -43.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.11 -59.42 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -51.41 -46.02 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.7 -44.11 97.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.6 ttp -53.04 -44.6 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.18 -43.72 46.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 35.2 mt -54.2 -46.33 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.63 -40.39 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -49.85 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -64.53 -50.64 66.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.574 ' N ' ' HH ' ' A' ' 65' ' ' TYR . 4.3 t80 -59.29 -44.97 92.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.48 -54.74 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.74 -57.67 8.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HG2' ' C ' ' A' ' 41' ' ' TYR . 30.3 tt0 -110.25 95.92 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -43.07 -35.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.421 ' C ' ' HG2' ' A' ' 39' ' ' GLN . 2.5 m-85 -137.11 110.09 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG11 ' A' ' 61' ' ' VAL . 36.3 mt -71.39 147.82 47.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -74.44 174.84 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.497 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -56.68 -59.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.78 -32.9 17.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.14 -59.07 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.3 ttm105 -44.82 -37.16 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.88 -58.98 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.2 tp -58.74 -61.41 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.52 -31.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.25 -40.79 58.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' LEU . 33.1 t -61.28 -45.26 95.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.7 mt -89.67 -25.31 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.49 31.81 11.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.3 mt -100.39 -179.85 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' GLN . 18.4 m -104.67 133.31 49.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' SER . 36.2 mt-30 -36.01 -39.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.74 -46.84 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' SER . 15.2 mm-40 -45.72 -68.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.576 HG13 ' CE1' ' A' ' 65' ' ' TYR . 6.7 t -45.22 -48.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -53.5 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' TRP . 89.6 m -63.68 -62.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.553 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 20.8 t90 -37.81 -44.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.7 m-85 -61.82 -57.63 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.03 -56.13 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -52.88 -45.07 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CB ' ' HG ' ' A' ' 29' ' ' LEU . 2.4 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 9.3 t -77.39 152.24 34.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -41.06 -33.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.92 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' HG3' ' CG2' ' A' ' 25' ' ' THR . 20.8 mt-30 -49.69 -33.16 15.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' HG ' ' CB ' ' A' ' 24' ' ' PHE . 21.1 mt -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ttp -58.8 -40.64 84.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.68 -50.46 30.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -42.88 -45.8 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.73 -47.77 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -56.01 -62.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 10.5 mmp_? -50.37 -56.81 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -52.73 -41.1 63.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.75 -47.69 83.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -60.59 -52.32 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' TYR . 3.6 tt0 -126.1 102.23 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -37.56 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -153.46 114.79 4.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.69 157.71 37.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -77.52 176.29 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.499 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.2 -59.03 9.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.543 0.687 . . . . 0.0 111.135 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.78 -45.17 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -56.24 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 58' ' ' GLN . 37.0 ttp180 -46.96 -36.78 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.1 mt -68.81 -60.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -38.59 -48.57 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.6 tp -65.35 -60.8 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 56' ' ' LEU . . . -42.92 -27.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.82 -33.99 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.2 m -74.58 -44.88 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 50' ' ' LEU . 35.7 mt -84.36 -26.77 28.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.22 33.18 6.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 35.9 mt -108.54 162.64 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 58.8 m -96.54 138.11 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 47' ' ' ARG . 61.6 mt-30 -34.4 -35.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' SER . 30.4 tp -60.58 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.0 mm-40 -39.87 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 65' ' ' TYR . 48.5 t -46.65 -54.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.82 -48.08 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 64' ' ' TRP . 85.9 m -78.02 -64.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' THR . 36.7 t90 -37.48 -50.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE1' HG11 ' A' ' 61' ' ' VAL . 5.2 m-85 -63.76 -72.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' TYR . 8.6 mm-40 -34.53 -54.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.1 -41.02 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' TYR . 13.7 mmm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 p -75.68 158.59 32.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -49.79 -42.64 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.8 -55.3 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' OE1' ' CG ' ' A' ' 56' ' ' LEU . 40.7 mm-40 -53.14 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.7 -39.01 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.1 ttp -59.19 -38.38 79.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.97 -42.24 8.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.42 -48.26 82.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.45 -39.97 95.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -61.9 -55.45 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -54.05 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 2.9 t80 -46.0 -58.07 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.4 -49.87 9.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -62.34 -54.4 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.07 123.43 39.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.59 -20.59 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -147.41 173.13 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 61' ' ' VAL . 12.1 mt -134.64 139.48 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -61.51 172.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.502 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.26 -59.16 7.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.69 -45.86 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -42.83 -56.31 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -54.58 -37.52 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.03 -57.26 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.93 -51.87 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' SER . 7.0 tp -60.48 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -41.39 -31.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.08 -38.56 27.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' LEU . 67.3 m -58.11 -49.46 76.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -20.17 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.74 2.72 57.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ALA . 38.6 mt -74.18 177.04 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -108.62 155.59 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -51.0 -28.24 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.49 -52.74 42.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -38.98 -60.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 65' ' ' TYR . 78.8 t -53.12 -56.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -45.88 -65.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.1 m -61.1 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.484 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 60.1 t90 -37.84 -44.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.559 ' CD1' HG12 ' A' ' 61' ' ' VAL . 4.9 m-85 -64.01 -63.47 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' TYR . 4.2 tp60 -36.5 -56.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -51.31 -38.13 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 2.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' GLU . 1.7 t -95.31 155.78 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 2.9 mp0 -34.83 -46.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.79 -68.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' 54' ' ' LEU . 3.2 mm100 -49.57 -48.64 48.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.52 -44.79 81.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttp -55.27 -43.27 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.3 34.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.6 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -33.06 72.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -66.78 -52.08 48.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.6 mmt-85 -63.76 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -44.05 -52.51 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -49.03 -51.98 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.91 -60.21 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -106.85 105.6 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 28.6 mmtm -49.01 -35.2 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 40' ' ' LYS . 1.4 m-85 -147.63 118.52 7.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 2.3 mt -76.05 158.25 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -76.91 -176.18 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.11 13.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.102 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.3 Cg_endo -69.72 -42.35 3.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 48.3 t0 -43.52 -59.46 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -44.6 -36.8 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.23 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -40.78 -40.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.52 -57.23 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.21 -19.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -89.11 -31.75 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 p -67.11 -48.51 67.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HB3' ' NE2' ' A' ' 28' ' ' GLN . 17.2 mt -87.97 -26.04 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.55 23.84 20.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 mt -90.71 179.14 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLN . 23.4 t -103.54 133.2 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' SER . 44.0 mt-30 -34.21 -46.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 60' ' ' GLN . 49.9 tp -50.8 -53.67 30.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.583 ' OE1' ' CE2' ' A' ' 24' ' ' PHE . 42.7 mt-30 -37.66 -67.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 65' ' ' TYR . 59.9 t -49.43 -40.49 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -60.01 -60.78 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.6 m -67.2 -60.65 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 32' ' ' LEU . 46.2 t90 -37.91 -48.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' HG12 ' A' ' 61' ' ' VAL . 4.8 m-85 -55.84 -65.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -43.24 -52.72 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -56.32 -44.95 80.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 p -94.89 157.68 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.1 -40.53 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.94 -52.6 41.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -55.82 -44.94 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.5 -40.66 93.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.3 ttp -61.72 -38.35 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.78 -51.46 5.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 22.3 mt -49.8 -34.42 19.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.86 -30.46 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.88 -32.98 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -82.2 -42.57 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.9 t80 -63.02 -55.46 25.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 6.7 pt-20 -46.36 -49.68 17.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 28.0 mttm -70.36 -61.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -99.91 94.35 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 41' ' ' TYR . 17.9 mmtm -44.48 -30.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 1.4 m-85 -149.33 113.41 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD11 ' CG1' ' A' ' 61' ' ' VAL . 14.3 mt -73.7 121.57 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -49.23 173.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.99 -59.12 7.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.73 -38.08 8.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.05 -48.6 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.59 -42.41 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.49 -62.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -39.71 -43.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.81 -55.49 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.03 -18.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -89.82 -32.31 16.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.9 m -76.63 -43.95 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.0 mt -83.89 -25.13 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.77 11.56 49.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.2 mt -94.28 176.83 6.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.356 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.719 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 74.4 m -105.93 172.73 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -65.12 -19.08 65.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.7 tp -75.57 -55.63 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.719 ' NE2' ' H ' ' A' ' 57' ' ' SER . 2.3 mp0 -40.4 -62.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 65' ' ' TYR . 26.3 t -55.08 -52.38 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.05 -65.63 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.2 m -59.3 -62.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 17.4 t90 -39.66 -49.76 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CE1' HG11 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.66 -58.23 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -41.57 -48.73 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -67.28 -47.55 70.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 2.9 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' LEU . 23.1 p -103.73 146.27 28.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' THR . 13.2 mt-10 -34.86 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' THR . 6.2 tt -71.1 -57.99 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -54.6 -46.47 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.14 -42.01 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 ttp -50.84 -39.59 53.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.928 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.44 -46.46 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.3 mt -55.87 -47.46 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.0 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -57.16 -55.48 34.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -62.19 -54.44 40.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.6 t80 -48.84 -45.06 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.46 -54.2 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -55.54 -58.45 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.3 tt0 -120.11 104.54 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLN . 42.0 mmtt -37.71 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' GLN . 26.5 m-85 -132.43 -176.18 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 65' ' ' TYR . 44.6 mt -143.5 140.7 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.441 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 14.7 m -68.29 165.44 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.499 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -47.94 -59.13 6.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.18 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.69 -21.98 33.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.441 ' HB2' ' N ' ' A' ' 43' ' ' SER . 2.2 m-20 -65.81 -50.11 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 44.0 ttp180 -62.43 -37.24 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.64 -44.22 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.66 -38.61 89.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.62 -55.11 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.42 -30.39 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.43 -31.35 53.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -73.98 -47.98 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.02 -22.99 36.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.39 33.08 14.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.7 mt -106.35 177.04 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 59' ' ' LEU . 63.0 m -100.49 130.91 46.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' SER . 16.8 mt-30 -36.4 -31.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' SER . 46.0 tp -65.21 -48.6 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 15.2 mm-40 -42.96 -59.26 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 65' ' ' TYR . 62.6 t -55.34 -50.33 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 4.9 tmtm? -50.84 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' TRP . 31.5 m -64.06 -60.55 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 74.7 t90 -37.83 -47.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.2 m-85 -59.06 -56.22 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -49.92 -46.64 52.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -62.85 -17.32 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.458 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.9 mmm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' HD12 ' A' ' 32' ' ' LEU . 62.9 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.977 0.418 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 80.8 p -76.37 148.22 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 16.6 mt-10 -37.28 -41.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.64 -51.4 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' CD ' HD22 ' A' ' 56' ' ' LEU . 32.0 mm-40 -56.29 -48.58 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.67 -42.61 93.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.9 ttp -58.25 -45.25 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.78 -53.31 9.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 16.1 mt -45.48 -49.39 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.3 -40.48 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -51.69 -53.49 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -67.54 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.8 t80 -37.74 -42.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.66 -44.34 86.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 34.9 mttm -63.95 -47.35 80.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 8.5 tt0 -132.97 102.45 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -34.53 -42.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -126.0 158.66 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.6 129.11 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 m -56.88 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.497 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -61.74 -59.09 14.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.81 -35.02 13.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.36 -57.03 14.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.0 ttm105 -52.95 -34.08 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.423 HG12 ' CD ' ' A' ' 58' ' ' GLN . 88.5 mt -70.22 -56.79 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.24 -46.85 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.7 tp -64.02 -59.17 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.01 -27.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -82.48 -34.86 27.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -61.6 -46.98 87.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.05 -27.48 17.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.27 37.24 5.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD22 ' CD ' ' A' ' 28' ' ' GLN . 98.8 mt -103.82 175.14 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' GLN . 14.3 t -95.28 129.74 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' SER . 50.4 mt-30 -34.38 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.77 -51.81 66.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.9 mm-40 -39.05 -63.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 65' ' ' TYR . 66.2 t -49.77 -48.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -53.53 -63.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.8 m -62.49 -62.97 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 30.5 t90 -37.84 -47.78 1.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -56.76 -57.47 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -48.2 -57.69 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.08 -41.11 74.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 4.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -100.41 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.45 -35.93 75.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -71.21 -59.01 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.72 -44.31 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.58 -42.35 98.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.4 ttp -52.41 -44.77 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.82 -47.83 13.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.0 mt -51.27 -47.14 62.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.56 -38.57 90.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -64.57 -41.58 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.75 -43.5 58.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.6 t80 -64.78 -43.72 92.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 6.8 pt-20 -66.11 -43.38 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 51.5 mmtt -65.25 -43.43 91.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.97 103.31 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.6 mmtt -35.92 -39.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -127.9 169.38 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.3 mt -131.31 130.34 42.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 m -64.47 176.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.62 -59.04 11.47 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.78 -28.46 25.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -59.61 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -52.7 -44.29 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.453 HG12 ' NE2' ' A' ' 58' ' ' GLN . 59.0 mt -61.33 -57.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -43.41 -50.12 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' A' ' 54' ' ' LEU . 13.0 tp -59.96 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -38.58 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.74 -47.09 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -50.62 -51.42 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' CD1' HD13 ' A' ' 50' ' ' LEU . 63.8 mt -85.13 -21.1 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.44 55.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' ALA . 59.5 mt -68.17 175.89 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLN . 4.6 m -109.37 145.43 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.453 ' NE2' HG12 ' A' ' 48' ' ' ILE . 37.8 mt-30 -36.98 -43.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLN . 11.3 tp -52.76 -56.98 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' LEU . 10.0 mm-40 -35.5 -59.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 65' ' ' TYR . 85.7 t -55.33 -54.99 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -47.14 -61.93 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' TRP . 34.4 m -63.57 -63.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.495 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t90 -37.9 -48.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' HG11 ' A' ' 61' ' ' VAL . 4.4 m-85 -58.99 -65.76 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' TYR . 36.0 tt0 -36.03 -48.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.26 -59.48 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.661 ' CZ ' ' NE2' ' A' ' 60' ' ' GLN . 63.2 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.0 p -83.62 145.23 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -39.43 -36.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.78 -51.04 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.421 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.9 mt-30 -59.7 -46.62 88.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.29 -41.7 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttp -51.5 -44.06 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.68 -54.2 6.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.6 mt -49.11 -45.02 42.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -67.97 -40.9 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -59.22 -48.19 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' A' ' 39' ' ' GLN . 8.6 mmt180 -66.58 -51.78 52.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.3 t80 -55.95 -55.86 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 4.0 pt-20 -49.46 -31.16 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 62.1 mmtt -82.09 -40.43 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 35' ' ' ARG . 2.3 pt20 -140.27 125.36 18.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -60.38 -14.83 20.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.415 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 46.7 m-85 -149.26 -177.48 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 11.5 mt -151.18 145.13 25.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 m -58.56 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -68.04 -58.45 7.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.682 . . . . 0.0 111.113 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.79 -14.7 36.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 33.4 t0 -69.61 -57.1 5.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' NE ' ' HB3' ' A' ' 58' ' ' GLN . 51.8 ttp180 -51.48 -40.68 59.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.43 -55.7 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -48.47 -49.3 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.0 tp -65.36 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -39.56 -30.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -77.14 -42.25 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 50.6 m -59.41 -47.09 86.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.4 -20.53 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.08 10.59 59.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' ALA . 87.7 mt -88.79 175.28 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLN . 74.2 m -108.49 142.11 39.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' SER . 18.3 mt-30 -34.46 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.4 tp -50.42 -54.06 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.661 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 9.9 mm100 -42.61 -63.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.5 t -53.88 -55.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.408 HG21 ' ND2' ' A' ' 67' ' ' ASN . 32.4 m -62.01 -62.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TRP . . . . . 0.553 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 62.2 t90 -37.69 -46.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.6 m-85 -63.26 -61.74 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -47.39 -43.88 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.408 ' ND2' HG21 ' A' ' 63' ' ' THR . 20.8 m-20 -67.93 -22.62 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.553 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -166.79 106.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.82 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -131.87 157.98 42.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 160.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 p -114.7 -52.38 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -165.4 118.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.0 80.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.51 148.76 19.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 143.99 95.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -17.85 37.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 154.85 124.1 0.89 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -126.64 167.12 16.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 152.41 31.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.48 139.19 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -116.55 149.86 38.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -122.89 134.85 54.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.08 46.19 1.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.73 79.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -125.21 124.09 40.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.0 p -89.89 50.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -115.64 -55.65 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -48.05 124.88 8.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.5 m -129.09 135.96 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 96.4 m-85 -113.54 138.61 49.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' GLU . 73.7 p -80.67 145.08 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' THR . 41.8 mm-40 -37.44 -41.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.43 -54.83 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.08 -52.7 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -54.15 -48.37 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttp -48.63 -46.79 40.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.89 62.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 37.0 mt -57.15 -42.57 81.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.91 -38.23 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.1 -51.63 67.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.4 mmt-85 -61.27 -65.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.58 -57.11 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -46.11 -54.48 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.77 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -129.22 98.76 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.61 121.17 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 61' ' ' VAL . 24.7 mt -80.43 171.76 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 m -92.87 174.41 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.487 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.89 -59.13 11.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.118 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.77 -44.25 2.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -62.31 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.7 ttm105 -42.4 -36.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.43 -54.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -46.75 -42.12 16.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 tp -65.79 -57.25 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.71 -24.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.64 -31.47 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -44.59 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.1 mt -88.67 -23.06 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.35 19.77 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.24 175.5 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' GLN . 33.0 m -100.4 133.57 44.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' SER . 35.0 mt-30 -35.36 -43.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.33 -45.7 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.485 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 15.9 mm-40 -44.31 -64.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.533 HG12 ' CE1' ' A' ' 65' ' ' TYR . 21.5 t -49.33 -53.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -49.98 -61.85 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -61.54 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.512 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.4 t90 -37.98 -46.13 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.533 ' CE1' HG12 ' A' ' 61' ' ' VAL . 4.1 m-85 -57.67 -69.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' TYR . 29.9 mt-30 -36.0 -52.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -55.42 -45.02 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' TYR . 24.1 mmt180 -60.81 -47.8 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' MET . 80.9 mtp180 -41.32 -54.01 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' ARG . 7.5 mmt -36.2 -62.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -59.77 -44.7 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.14 -43.68 52.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -61.99 175.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -152.44 125.68 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 m -120.42 120.11 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -127.78 81.13 0.35 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.96 3.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 t -174.96 107.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.1 t -96.34 113.74 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 71.97 42.23 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -119.56 170.1 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.31 -170.64 39.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -169.96 177.86 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -170.85 163.46 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.27 139.72 0.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.0 -46.62 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.69 144.05 0.64 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -172.54 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.742 2.295 . . . . 0.0 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 12' ' ' THR . . . -98.16 39.97 2.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 11' ' ' GLY . 14.5 m 36.01 44.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -84.76 154.03 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.54 168.71 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.23 143.85 27.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -128.86 -31.79 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -111.34 162.28 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -149.76 136.24 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -145.42 112.87 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -78.19 86.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -148.73 152.92 37.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.89 36.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -101.02 131.34 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' GLU . 6.9 p -83.52 154.96 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' THR . 35.0 mt-10 -37.19 -48.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.76 -58.33 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.39 -51.35 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -39.48 76.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ttp -55.77 -45.11 78.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.27 -35.75 52.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 15.4 mt -61.68 -43.62 98.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -71.62 -34.17 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -62.71 -53.89 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.1 mmt180 -64.77 -44.53 89.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -62.25 -41.39 98.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.52 -54.77 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.72 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' TYR . 29.8 tt0 -133.99 91.31 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 72' ' ' TRP . 17.3 mmtm -37.33 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' GLN . 1.7 m-85 -124.04 -179.68 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' CG1' ' A' ' 61' ' ' VAL . 88.4 mt -147.7 132.52 18.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -64.66 171.86 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -55.67 -59.13 12.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.619 0.723 . . . . 0.0 111.148 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.75 -18.06 37.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -73.76 -65.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -43.95 -35.76 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.41 -56.18 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -47.05 -49.75 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.7 tp -60.78 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.14 -27.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' LEU . 6.9 mt-10 -83.39 -42.09 17.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 30.6 m -57.75 -53.46 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 35.2 mt -81.39 -24.51 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.09 3.68 56.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -75.86 170.72 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLN . 3.8 m -102.93 141.47 35.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' SER . 46.2 mt-30 -36.4 -42.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.97 -45.71 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' SER . 5.3 mm-40 -46.33 -64.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 65' ' ' TYR . 46.4 t -52.79 -54.32 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -47.12 -63.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.45 HG22 ' ND2' ' A' ' 67' ' ' ASN . 85.0 m -62.64 -63.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.461 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 31.7 t90 -37.86 -47.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.553 ' CE1' HG11 ' A' ' 61' ' ' VAL . 5.6 m-85 -60.89 -64.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' TYR . 54.3 mt-30 -34.78 -57.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.45 ' ND2' HG22 ' A' ' 63' ' ' THR . 70.3 m-80 -57.82 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -50.13 -33.14 17.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.49 -42.72 74.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.0 mtm -62.91 -37.42 86.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -82.5 -22.4 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.462 ' CE2' ' HE3' ' A' ' 40' ' ' LYS . 11.5 t90 -83.89 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 41.1 mmtt -71.91 102.03 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' LYS . 18.2 mmtm 34.32 45.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.7 t -152.6 -177.97 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.84 -81.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 165.51 30.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -98.94 -57.05 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 p -85.46 134.95 34.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -159.85 177.6 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -146.03 176.8 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.31 -173.01 31.51 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -160.14 172.96 16.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -168.27 177.4 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.58 -156.42 7.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.63 176.65 39.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -173.36 147.08 1.39 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.74 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.0 -164.01 37.4 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -153.9 136.27 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -170.71 123.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.96 21.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HE3' ' N ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -74.46 108.31 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -96.28 145.4 25.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.92 84.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -130.04 109.51 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -128.33 42.7 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.3 p -121.73 129.85 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -127.91 103.55 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.0 p -113.61 126.61 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.66 38.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CE1' ' OE1' ' A' ' 60' ' ' GLN . 89.5 m-85 -109.15 137.76 46.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 4.1 p -85.6 151.99 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 40.1 mt-10 -37.42 -38.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.27 -66.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -47.12 -38.28 11.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.8 -40.5 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 ttp -62.78 -37.53 87.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.22 -39.73 11.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.9 -45.92 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.56 -42.39 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -53.6 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.63 -63.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.1 t80 -39.46 -41.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.24 -54.56 19.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -54.32 -43.84 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.2 tt0 -133.23 101.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLN . 45.7 mmtt -36.87 -35.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 3.6 m-85 -128.34 -177.07 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.483 HD13 ' CZ ' ' A' ' 65' ' ' TYR . 82.2 mt -143.58 137.57 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -68.48 176.78 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.63 -59.18 11.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.688 . . . . 0.0 111.126 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.2 Cg_endo -69.68 -40.56 5.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.91 -56.74 13.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -49.74 -40.45 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.79 -62.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -38.45 -49.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 tp -62.09 -58.72 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.94 -30.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.24 -34.13 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.2 t -69.84 -42.21 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.4 mt -90.09 -28.11 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.66 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.0 mt -97.48 167.95 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.1 m -93.55 139.04 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' SER . 45.7 mt-30 -36.79 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.4 tp -64.75 -55.48 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.506 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 8.1 mm-40 -37.87 -58.64 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG11 ' CD1' ' A' ' 65' ' ' TYR . 87.5 t -57.19 -56.32 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -45.87 -62.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' TRP . 26.6 m -65.39 -62.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 76.4 t90 -37.85 -44.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.552 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.4 m-85 -61.81 -58.52 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -48.89 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.05 -18.74 48.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 33.7 mmt180 -92.04 -48.25 6.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 69' ' ' ARG . 7.3 mtp-105 -51.99 -43.53 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.426 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 25.8 ptm -48.95 -53.0 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 70' ' ' MET . 36.0 mtpt -68.43 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -67.28 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -51.76 -45.94 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.64 142.26 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.2 p -81.58 -53.4 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 84.02 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -22.76 31.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.305 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -48.11 -47.15 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -143.67 156.47 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -154.07 138.85 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -174.49 163.68 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.46 138.15 20.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -80.71 136.64 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.88 -173.92 47.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 157.98 135.1 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 7.7 mp0 -36.89 151.29 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.728 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -22.55 31.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.23 . . . . 0.0 112.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.48 -57.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -147.62 157.33 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -74.44 84.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.41 46.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.29 136.57 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -99.11 142.87 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.22 152.33 19.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -99.77 135.72 40.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -83.74 140.69 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.4 p -82.34 156.96 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttp85 -90.02 -52.3 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -150.11 124.33 9.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.96 141.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -76.29 132.45 39.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 p -78.43 163.0 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.88 -44.27 14.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.79 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.403 ' NE2' HD23 ' A' ' 56' ' ' LEU . 89.7 mt-30 -47.5 -47.56 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 mt -63.31 -47.15 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.0 ttp -46.73 -41.44 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.94 -39.72 16.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 47.5 mt -59.69 -41.5 90.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -67.78 -41.09 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -62.84 -59.44 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 14.9 mmm180 -56.49 -46.35 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.3 t80 -61.51 -47.84 83.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.1 -54.77 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -55.78 -52.71 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.6 tt0 -122.0 95.6 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' NZ ' ' CD2' ' A' ' 72' ' ' TRP . 16.6 mmmt -34.34 -40.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.16 125.06 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 4.8 mt -83.09 148.49 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.1 -176.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.13 13.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.76 -47.39 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -57.28 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -49.73 -46.63 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.89 -61.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -38.23 -48.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' SER . 7.3 tp -61.3 -65.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -36.43 -35.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -77.29 -42.99 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' LEU . 47.8 t -59.35 -44.6 92.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 HD12 ' CD1' ' A' ' 50' ' ' LEU . 95.9 mt -87.63 -25.95 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.25 -5.54 38.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 51' ' ' ALA . 23.9 mt -77.55 174.84 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -107.4 156.12 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -47.7 -30.12 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' GLN . 59.6 tp -63.68 -61.49 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.9 mm100 -34.69 -59.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 65' ' ' TYR . 48.3 t -52.14 -55.94 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -64.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -60.51 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 38.6 t90 -38.1 -44.95 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.455 ' CZ ' HD12 ' A' ' 42' ' ' LEU . 4.3 m-85 -62.42 -62.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -44.45 -52.49 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -58.26 -51.83 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -48.77 -49.14 39.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' LYS . 27.0 mtm180 -43.03 -55.24 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 69' ' ' ARG . 86.4 mtp -35.72 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' ARG . 13.0 ttmm -86.19 -45.77 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.463 ' CD2' ' NZ ' ' A' ' 40' ' ' LYS . 3.4 t90 -59.78 -53.28 59.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' N ' ' CE3' ' A' ' 72' ' ' TRP . 11.2 pttm -43.7 144.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -124.68 -56.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 p -86.07 158.71 19.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.09 84.4 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -40.6 5.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -54.1 -43.75 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.5 p -147.45 144.46 28.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -162.58 155.66 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -166.52 169.69 13.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -135.56 -88.06 0.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 23.4 m 37.66 52.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -75.78 -178.5 4.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.46 157.64 27.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.56 79.86 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -107.57 81.66 1.15 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.661 0.744 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -172.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.23 58.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.5 p -137.22 171.21 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.183 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.49 40.1 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.68 102.65 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.072 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.2 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLY . 25.7 ttmt -112.63 -57.53 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . . . 34.41 -112.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -109.67 148.04 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 38.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.7 m -113.92 45.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -95.39 -57.25 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -64.14 125.58 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.93 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.63 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 68.6 m-85 -76.62 151.4 36.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 69.8 p -103.66 148.17 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 43.4 mt-10 -36.06 -41.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.08 -58.56 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -50.28 -44.94 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.95 -47.04 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttp -52.96 -42.66 65.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.58 -55.73 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -44.45 -47.29 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.7 -41.79 87.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -52.71 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -67.19 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 4.2 t80 -37.56 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -62.97 -49.45 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -61.03 -50.15 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.6 tt0 -126.61 98.76 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 22.9 mmtt -36.2 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' GLN . 29.0 m-85 -132.31 -178.51 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 65' ' ' TYR . 47.9 mt -145.14 142.25 29.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -69.15 -175.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.491 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -63.21 -59.17 12.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.189 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.76 -43.88 2.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -60.16 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -46.73 -41.85 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.456 HG12 ' NE2' ' A' ' 58' ' ' GLN . 52.9 mt -62.97 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.5 tp -64.02 -60.92 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.2 -29.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -78.11 -35.29 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.1 t -68.45 -42.56 78.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -25.95 21.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 31.67 11.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -103.35 176.31 5.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.0 m -99.62 136.64 39.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' NE2' HG12 ' A' ' 48' ' ' ILE . 80.3 mt-30 -37.7 -42.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.93 -43.6 81.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.63 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 14.6 mm100 -45.07 -58.9 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 65' ' ' TYR . 99.3 t -55.3 -54.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -46.23 -65.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 ' ND2' ' A' ' 67' ' ' ASN . 43.7 m -63.81 -61.31 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 71.1 t90 -37.94 -47.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.4 m-85 -59.54 -55.71 31.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.37 -51.99 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.436 ' ND2' HG22 ' A' ' 63' ' ' THR . 31.4 m-80 -56.68 -20.79 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.517 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 6.2 mmp_? -91.67 -41.66 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' NE ' ' CE2' ' A' ' 41' ' ' TYR . 16.2 mtt85 -62.06 -32.59 73.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.417 ' HG2' ' C ' ' A' ' 67' ' ' ASN . 9.8 ptm -59.99 -45.35 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -78.16 -27.48 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.428 ' CE3' ' HG3' ' A' ' 73' ' ' LYS . 7.5 t90 -72.06 -42.84 65.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HG3' ' CE3' ' A' ' 72' ' ' TRP . 46.6 mttt -57.78 -41.77 82.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -100.79 90.96 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -85.49 86.42 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.95 155.89 41.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -27.56 26.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 m -85.82 142.51 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 m -114.73 147.6 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -172.82 175.97 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.828 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -163.23 173.2 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.7 -175.54 25.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -160.79 160.8 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 p -128.12 172.56 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 -157.99 7.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.29 -171.3 16.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -160.18 159.45 26.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -175.0 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.319 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.23 -155.75 6.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -130.03 150.32 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -143.64 118.65 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.948 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.58 140.57 25.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -65.37 166.37 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -44.95 130.8 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.69 81.16 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -126.45 5.8 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 19' ' ' ARG . 4.0 ptm85 -115.41 153.69 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 t -86.61 131.35 34.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -124.49 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -94.69 122.55 37.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.38 143.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.541 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 29.9 m-85 -86.93 140.45 29.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -89.32 168.7 12.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.31 -35.63 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 tp -70.53 -59.26 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -54.29 -46.38 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.75 -48.62 80.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.9 ttp -46.11 -42.48 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.27 -49.42 6.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 19.0 mt -53.98 -33.01 55.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -76.33 -37.13 57.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -65.97 -37.31 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -76.89 -48.92 16.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.4 t80 -59.37 -42.9 92.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.76 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -75.46 -55.4 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.9 tt0 -124.39 108.87 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.5 mmtm -36.58 -41.17 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -134.44 142.66 47.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.23 125.53 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -53.3 161.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.5 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -39.52 -59.2 1.69 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.625 0.726 . . . . 0.0 111.166 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.78 -44.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.35 -60.71 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -47.4 -38.61 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.58 -57.77 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -44.31 -41.39 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' SER . 12.6 tp -68.14 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.65 -27.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.42 -40.48 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m -57.88 -49.56 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.56 -28.33 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.39 29.06 9.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.3 mt -93.93 -178.58 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' LEU . 26.9 t -103.95 136.06 44.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -38.32 -29.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' SER . 26.7 tp -67.3 -50.54 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.541 ' OE1' ' CE2' ' A' ' 24' ' ' PHE . 36.0 mt-30 -39.6 -61.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.544 HG12 ' CE1' ' A' ' 65' ' ' TYR . 24.2 t -55.82 -51.83 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -50.34 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.6 m -61.92 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.529 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 32.3 t90 -38.11 -47.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.544 ' CE1' HG12 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.53 -69.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -40.51 -46.66 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -63.22 -34.9 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' TYR . 19.9 mmt180 -72.36 -33.74 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -62.0 -30.4 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -59.49 -37.4 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -87.71 -49.31 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -49.6 -40.59 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -64.14 138.65 58.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -66.73 95.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -152.55 168.33 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.53 158.83 28.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.35 26.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -56.73 -56.0 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -55.25 126.17 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -168.06 169.18 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -162.48 159.14 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.05 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -42.01 -50.07 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -108.55 140.25 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.14 84.88 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.75 -171.61 40.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.94 148.16 24.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.54 10.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.45 56.05 0.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -103.52 126.46 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.157 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.78 111.51 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.18 97.99 6.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.83 157.73 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -98.8 -61.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.02 80.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.5 163.84 21.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.14 166.56 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.7 m -91.09 113.99 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.25 -57.94 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 t -82.09 140.8 33.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.62 163.75 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -91.74 135.0 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLU . 46.5 p -77.48 146.53 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' THR . 18.9 mt-10 -37.87 -44.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.65 -53.3 53.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' OE1' ' CG ' ' A' ' 56' ' ' LEU . 31.4 mm-40 -55.76 -45.06 78.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttp -57.64 -37.85 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.18 -50.4 5.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.1 mt -54.07 -38.09 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -73.33 -35.85 66.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -34.36 77.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -79.46 -44.44 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 4.2 t80 -64.72 -50.93 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.0 pt-20 -53.81 -47.17 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 17.9 mtpp -64.16 -56.68 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -121.95 110.63 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -41.96 -42.65 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -126.98 157.7 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD11 ' CG1' ' A' ' 61' ' ' VAL . 60.0 mt -114.84 146.95 40.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -72.69 157.5 37.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.483 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -41.88 -59.1 2.75 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.549 0.69 . . . . 0.0 111.128 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.8 Cg_endo -69.8 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.7 m-20 -52.5 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 18.5 ttp-105 -38.1 -36.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.07 -54.33 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -44.68 -46.51 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' SER . 9.9 tp -65.1 -57.73 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.5 -25.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.01 -29.97 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.2 t -68.64 -44.85 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.79 -28.45 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.52 30.17 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.454 ' CG ' ' OE1' ' A' ' 28' ' ' GLN . 14.9 mt -96.55 170.59 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.4 m -97.58 131.78 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' SER . 49.8 mt-30 -34.24 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' SER . 33.9 tp -61.22 -51.9 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 16.3 mm-40 -41.24 -59.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.568 HG11 ' CD1' ' A' ' 65' ' ' TYR . 27.1 t -57.21 -56.23 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -46.55 -62.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -64.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.543 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 76.6 t90 -37.81 -48.05 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.1 m-85 -58.34 -62.26 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -45.03 -56.13 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -52.04 -44.44 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.543 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 16.1 mmm180 -59.06 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 13.0 mtp-105 -47.58 -37.83 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.4 mtt -54.5 -58.91 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -66.52 -41.47 88.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -53.28 -42.02 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -42.72 121.43 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.11 104.78 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -111.98 85.03 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.51 -83.06 1.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 p 47.53 43.98 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.0 t -98.03 122.07 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -72.48 -59.97 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 54.3 43.95 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.07 -43.26 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -49.97 145.4 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -169.33 168.75 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 175.09 45.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.36 61.21 0.36 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -64.11 143.65 98.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 176.02 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.09 137.47 25.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.75 -48.6 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -111.29 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 92.12 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 11.2 ptpp? -125.68 -45.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 35.5 tptt -168.61 121.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.75 89.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -113.37 117.93 33.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.427 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 10.1 ptp180 -129.74 88.47 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -129.54 91.05 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 84.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -93.51 146.45 23.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.8 t -115.93 34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -116.5 140.77 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.9 p -85.41 160.11 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -48.24 -41.65 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.68 -56.69 9.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.423 ' CD ' HD22 ' A' ' 56' ' ' LEU . 96.0 mt-30 -52.22 -49.66 63.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.78 -49.47 76.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.7 ttp -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.9 -48.11 62.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 49.2 mt -57.86 -41.5 82.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -68.53 -46.22 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -57.05 -43.37 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.6 mmt-85 -73.46 -46.92 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 4.2 t80 -60.26 -27.28 67.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -73.31 -53.58 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -65.7 -49.31 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 7.3 tt0 -117.8 103.82 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -47.91 -42.1 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.8 117.99 15.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.446 HD11 ' CZ ' ' A' ' 65' ' ' TYR . 15.1 mt -76.76 144.3 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 m -66.83 -177.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.484 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -59.28 -59.13 14.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.573 0.701 . . . . 0.0 111.179 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.8 -44.38 2.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -45.41 -63.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 59.4 ttp180 -42.36 -42.98 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.9 mt -61.34 -62.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.61 -43.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' SER . 12.5 tp -67.67 -65.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.27 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' LEU . 29.3 mm-40 -81.21 -42.43 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' LEU . 73.8 m -55.92 -50.37 70.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 96.1 mt -83.48 -24.22 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.0 -3.83 48.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD22 ' CD ' ' A' ' 28' ' ' GLN . 62.7 mt -74.88 175.92 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.3 m -105.21 165.55 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -54.65 -36.56 64.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 60' ' ' GLN . 28.2 tp -56.95 -60.48 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.7 mm-40 -34.44 -64.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 65' ' ' TYR . 81.6 t -53.59 -56.6 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.409 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 40.2 tttt -46.96 -64.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -60.94 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 26.7 t90 -37.86 -48.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.483 ' CD1' HG12 ' A' ' 61' ' ' VAL . 4.1 m-85 -58.03 -57.08 14.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.13 -57.0 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -54.96 -19.6 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 22.5 mmm180 -94.14 -27.7 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -78.73 -22.99 45.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.407 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 5.7 ptt? -71.48 -45.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 70' ' ' MET . 56.7 tttt -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -75.33 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -58.04 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -106.54 125.57 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -152.82 116.47 4.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.47 146.5 4.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.15 15.52 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.335 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 t -61.99 118.11 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 80' ' ' GLY . 42.3 p -166.9 134.98 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 p -174.1 177.72 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -137.92 172.15 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 174.03 46.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -135.69 178.44 7.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -169.67 172.44 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.14 -142.01 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.6 -178.07 28.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.19 144.06 3.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.76 13.89 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.28 -148.77 7.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.6 m -132.31 116.98 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 84.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -52.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tttp 40.36 40.38 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -128.29 76.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.8 139.41 5.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' NE ' ' HD2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -105.71 -46.25 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.446 ' HD2' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -115.37 -60.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -174.76 125.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.44 -43.66 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.71 147.55 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.43 37.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 59.5 m-85 -105.18 133.39 50.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 p -82.71 164.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -49.71 -41.55 43.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.52 -55.9 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.508 HE21 ' N ' ' A' ' 28' ' ' GLN . 1.7 mm-40 -55.3 -53.82 51.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.65 -39.82 85.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.8 ttp -48.89 -41.01 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.24 -48.8 5.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.5 mt -48.38 -44.1 34.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.64 -41.98 83.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -61.01 -57.91 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' PHE . 42.2 mmt-85 -59.42 -65.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -37.07 -56.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.66 -54.64 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.15 -34.19 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' CD ' HD22 ' A' ' 42' ' ' LEU . 2.4 pt20 -143.45 116.6 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -54.14 -15.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.408 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 3.4 m-85 -150.97 -176.1 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 39' ' ' GLN . 8.3 mt -149.36 137.79 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -58.37 174.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.92 -59.16 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.8 -39.94 5.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -59.26 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.3 ttm105 -52.56 -31.25 35.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 79.9 mt -72.44 -47.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.74 -45.1 78.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.93 -57.0 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.21 -34.6 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -65.85 -50.0 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.48 ' HB3' ' NE2' ' A' ' 28' ' ' GLN . 33.1 mt -83.77 -29.03 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 11.62 41.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 28' ' ' GLN . 14.6 mt -81.09 -177.91 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.5 t -109.42 136.64 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' SER . 39.0 mt-30 -34.36 -46.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.48 -45.88 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.497 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.2 mm-40 -44.77 -67.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.565 HG13 ' CD1' ' A' ' 65' ' ' TYR . 60.5 t -48.71 -50.27 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -50.63 -62.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.2 m -63.25 -63.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 65.8 t90 -37.72 -44.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CD1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -62.34 -65.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -38.38 -53.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.89 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 3.9 mmp_? -48.71 -47.43 41.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -50.65 -46.48 58.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.5 mmt -49.05 -51.11 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.12 -38.4 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -59.57 -27.06 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -83.79 179.11 7.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.28 147.92 46.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.469 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 70.5 m -98.4 -58.66 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -95.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.36 4.32 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -38.59 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 m -113.3 -58.91 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -161.06 176.99 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t 69.12 42.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 135.96 8.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -173.94 169.57 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -170.71 171.91 6.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.06 -171.16 32.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.48 82.29 0.34 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -112.56 147.52 37.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 174.2 9.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.51 83.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.4 p -111.86 100.41 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -164.67 152.48 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.61 167.72 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -171.54 153.96 3.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -115.55 -56.54 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.92 -149.51 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -86.51 132.17 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -149.79 121.46 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -128.24 82.19 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.545 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -48.26 -19.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -111.66 168.8 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.5 t -114.96 36.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -83.23 141.71 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -95.89 148.83 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.41 -37.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.08 -48.03 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' CD ' HD23 ' A' ' 56' ' ' LEU . 93.5 mt-30 -61.94 -47.93 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.58 -45.2 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.16 -42.99 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.91 -54.65 5.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 15.9 mt -46.57 -42.28 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.02 -50.14 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -48.72 -50.13 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -68.35 -62.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.0 t80 -41.4 -39.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.29 -46.53 73.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -42.03 97.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.95 92.02 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 26.4 mmtm -33.9 -40.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -123.66 159.44 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 73.5 mt -124.56 158.81 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t -82.97 165.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.99 -59.03 8.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -57.68 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -43.93 -41.06 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -64.25 -55.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.53 -50.51 23.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.1 tp -61.06 -57.69 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -44.7 -32.86 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.45 -34.7 60.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.1 t -66.27 -45.37 80.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.59 -27.27 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.11 29.47 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD12 ' CD1' ' A' ' 32' ' ' LEU . 89.8 mt -102.94 174.72 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.1 m -97.7 142.15 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.9 -40.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -43.27 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -47.6 -63.03 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 65' ' ' TYR . 59.7 t -53.9 -40.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -59.16 -62.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' TRP . 54.7 m -66.94 -58.98 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 22.2 t90 -37.87 -48.99 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CD1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -58.69 -65.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' TYR . 33.8 tt0 -36.99 -42.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -70.82 -51.57 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 1.4 mmp_? -46.68 -50.88 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -46.15 -44.91 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.3 mtt -50.73 -42.08 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -48.4 23.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -52.61 -44.23 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -43.76 140.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.5 OUTLIER -54.68 158.28 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' LYS . 4.1 t 36.07 41.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.53 -171.46 48.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.01 39.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t -71.88 125.75 27.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -151.48 148.48 28.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.803 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 69.72 43.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -83.0 171.35 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 -152.29 7.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -170.54 159.5 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -128.03 177.8 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.81 175.61 42.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 -129.61 1.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 8.5 mp0 49.11 54.39 16.05 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 53.5 Cg_endo -69.76 -168.4 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.89 169.11 54.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -162.61 131.8 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -94.51 145.44 24.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.95 123.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 114.31 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -149.86 143.91 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.82 42.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -126.94 135.6 51.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -137.41 163.36 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -94.8 147.7 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -59.59 95.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p -143.5 128.2 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -123.6 134.99 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 52.5 m-85 -106.84 165.35 11.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -100.73 155.18 18.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -45.51 -42.29 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.31 -54.52 23.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' CD ' HD22 ' A' ' 56' ' ' LEU . 65.9 mt-30 -53.47 -48.38 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.01 -46.67 89.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.98 -44.85 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -46.89 20.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 26.0 mt -51.42 -49.66 61.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.15 -42.96 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -48.89 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' PHE . 10.6 mmt180 -70.62 -65.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.9 t80 -37.32 -49.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -65.25 -58.99 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -110.49 93.66 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -39.69 -37.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -138.37 116.32 11.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 13.5 mt -74.28 178.17 5.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -102.3 169.86 8.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.493 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.57 -59.15 7.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.154 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.79 -46.09 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.31 -55.78 14.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -44.05 -38.32 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.83 -59.2 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.66 -50.36 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' SER . 15.2 tp -63.1 -60.41 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -76.81 -35.74 57.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 45.7 m -63.23 -46.51 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.7 mt -88.19 -25.26 23.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 33.91 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD22 ' CD ' ' A' ' 28' ' ' GLN . 73.7 mt -100.66 177.68 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.2 m -99.88 130.67 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' SER . 57.3 mt-30 -34.29 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.9 tp -62.56 -49.26 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.599 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.6 mm-40 -41.27 -56.56 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.567 HG11 ' CE1' ' A' ' 65' ' ' TYR . 71.6 t -54.58 -58.46 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -46.83 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.5 m -62.06 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.549 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.7 t90 -37.87 -45.05 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.567 ' CE1' HG11 ' A' ' 61' ' ' VAL . 4.0 m-85 -60.66 -59.2 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -40.72 -60.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -57.0 -49.05 76.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -47.76 -46.5 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -48.72 -55.4 11.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.3 mmm -42.12 -60.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -46.74 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -51.53 -46.96 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -47.52 126.16 9.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -85.62 109.38 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p -55.57 -52.82 62.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.32 71.76 0.54 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 91.03 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 t -119.19 160.84 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.3 p -88.25 142.34 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 10.7 p -103.74 -33.82 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.3 p 37.25 42.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.04 -152.85 16.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m 53.53 46.8 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -152.19 113.87 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 -109.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.4 143.38 11.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.7 tt0 -146.04 140.16 15.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.663 0.744 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.8 -171.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.91 140.11 2.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -80.53 168.16 19.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.31 157.55 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.98 144.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -101.9 85.41 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 85.74 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 41.39 77.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 29.1 mtm105 -46.4 117.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -122.84 49.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m 55.33 43.17 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -15.92 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -82.83 128.03 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.1 t -142.91 127.62 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -78.43 165.43 23.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' GLU . 60.3 p -103.75 143.01 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' THR . 47.3 mt-10 -35.94 -43.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.11 -59.42 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -51.41 -46.02 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.7 -44.11 97.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.6 ttp -53.04 -44.6 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.18 -43.72 46.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 35.2 mt -54.2 -46.33 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.63 -40.39 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -49.85 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -64.53 -50.64 66.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.574 ' N ' ' HH ' ' A' ' 65' ' ' TYR . 4.3 t80 -59.29 -44.97 92.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.48 -54.74 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.74 -57.67 8.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' HG2' ' C ' ' A' ' 41' ' ' TYR . 30.3 tt0 -110.25 95.92 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -43.07 -35.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.421 ' C ' ' HG2' ' A' ' 39' ' ' GLN . 2.5 m-85 -137.11 110.09 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG11 ' A' ' 61' ' ' VAL . 36.3 mt -71.39 147.82 47.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -74.44 174.84 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.497 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -56.68 -59.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.78 -32.9 17.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.14 -59.07 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.3 ttm105 -44.82 -37.16 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.88 -58.98 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.2 tp -58.74 -61.41 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -41.52 -31.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.25 -40.79 58.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' LEU . 33.1 t -61.28 -45.26 95.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 47.7 mt -89.67 -25.31 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.49 31.81 11.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.3 mt -100.39 -179.85 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' GLN . 18.4 m -104.67 133.31 49.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' SER . 36.2 mt-30 -36.01 -39.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.74 -46.84 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' SER . 15.2 mm-40 -45.72 -68.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.576 HG13 ' CE1' ' A' ' 65' ' ' TYR . 6.7 t -45.22 -48.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -53.5 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' TRP . 89.6 m -63.68 -62.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.553 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 20.8 t90 -37.81 -44.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.576 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.7 m-85 -61.82 -57.63 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.03 -56.13 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -52.88 -45.07 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -58.07 -47.35 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 13.3 mtp-105 -45.8 -49.02 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 29.8 mtt -45.0 -48.74 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.84 -44.12 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -50.45 -48.4 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -66.36 105.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -88.24 37.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 87.26 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.38 -158.17 8.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 170.15 17.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -53.24 162.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' GLY . 13.8 t -106.51 146.09 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -99.6 121.14 40.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -66.53 -54.67 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.53 -171.84 22.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -156.33 162.27 40.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -171.1 169.34 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.81 177.18 19.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.95 166.15 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.06 145.13 40.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.97 15.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.41 127.99 1.24 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -45.69 153.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -105.69 -51.72 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.69 151.93 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -85.2 121.24 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -46.22 -45.56 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.13 137.72 4.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -104.71 142.64 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -52.72 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -72.04 121.1 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -72.32 90.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -74.22 92.3 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 m -93.14 74.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CB ' ' HG ' ' A' ' 29' ' ' LEU . 2.4 m-85 -119.77 133.49 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.457 ' CG2' ' HG3' ' A' ' 28' ' ' GLN . 9.3 t -77.39 152.24 34.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -41.06 -33.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.92 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' HG3' ' CG2' ' A' ' 25' ' ' THR . 20.8 mt-30 -49.69 -33.16 15.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' HG ' ' CB ' ' A' ' 24' ' ' PHE . 21.1 mt -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ttp -58.8 -40.64 84.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.68 -50.46 30.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 12.7 mt -42.88 -45.8 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.73 -47.77 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -56.01 -62.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.464 ' HG3' ' CD1' ' A' ' 50' ' ' LEU . 10.5 mmp_? -50.37 -56.81 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -52.73 -41.1 63.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.75 -47.69 83.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -60.59 -52.32 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' TYR . 3.6 tt0 -126.1 102.23 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -37.56 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -153.46 114.79 4.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mt -70.69 157.71 37.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -77.52 176.29 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.499 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.2 -59.03 9.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.543 0.687 . . . . 0.0 111.135 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.78 -45.17 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -56.24 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 58' ' ' GLN . 37.0 ttp180 -46.96 -36.78 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 73.1 mt -68.81 -60.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -38.59 -48.57 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.6 tp -65.35 -60.8 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 56' ' ' LEU . . . -42.92 -27.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.82 -33.99 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.2 m -74.58 -44.88 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 50' ' ' LEU . 35.7 mt -84.36 -26.77 28.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.22 33.18 6.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 35.9 mt -108.54 162.64 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 58.8 m -96.54 138.11 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 47' ' ' ARG . 61.6 mt-30 -34.4 -35.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' SER . 30.4 tp -60.58 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.0 mm-40 -39.87 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 65' ' ' TYR . 48.5 t -46.65 -54.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.82 -48.08 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 64' ' ' TRP . 85.9 m -78.02 -64.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' THR . 36.7 t90 -37.48 -50.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.571 ' CE1' HG11 ' A' ' 61' ' ' VAL . 5.2 m-85 -63.76 -72.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' TYR . 8.6 mm-40 -34.53 -54.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.1 -41.02 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' TYR . 13.7 mmm180 -62.45 -57.35 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -40.12 -53.44 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.0 mtt -39.98 -53.05 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -70.44 -44.13 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -49.36 -45.21 45.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -83.3 106.83 15.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -79.59 103.21 9.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.1 p -88.86 136.05 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -109.24 -76.41 0.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 143.71 51.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.305 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 m -150.33 133.25 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -144.07 167.44 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -108.15 140.32 41.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -93.56 -61.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.05 128.48 6.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.1 t -98.87 92.66 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.6 m 34.44 45.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.23 118.82 3.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.64 -168.87 41.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.62 148.74 15.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.9 4.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.49 123.95 1.91 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -84.15 -179.16 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -170.37 159.67 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.31 135.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.85 25.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -66.45 173.28 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.93 114.34 2.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.7 68.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -121.15 140.81 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -96.35 110.31 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -107.2 -54.93 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.65 132.82 41.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.55 164.94 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -87.47 146.49 25.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 p -75.68 158.59 32.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -49.79 -42.64 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.8 -55.3 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' OE1' ' CG ' ' A' ' 56' ' ' LEU . 40.7 mm-40 -53.14 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.7 -39.01 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.1 ttp -59.19 -38.38 79.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.97 -42.24 8.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.42 -48.26 82.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.45 -39.97 95.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -61.9 -55.45 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -54.05 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 2.9 t80 -46.0 -58.07 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.4 -49.87 9.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -62.34 -54.4 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.07 123.43 39.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HD2' ' CE2' ' A' ' 72' ' ' TRP . 26.8 mmtt -55.59 -20.59 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.561 ' CE2' ' HD3' ' A' ' 69' ' ' ARG . 12.1 m-85 -147.41 173.13 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' CD1' HG13 ' A' ' 61' ' ' VAL . 12.1 mt -134.64 139.48 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -61.51 172.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.502 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.26 -59.16 7.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.69 -45.86 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -42.83 -56.31 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -54.58 -37.52 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.03 -57.26 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.93 -51.87 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' SER . 7.0 tp -60.48 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -41.39 -31.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.08 -38.56 27.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' LEU . 67.3 m -58.11 -49.46 76.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -20.17 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.74 2.72 57.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' ALA . 38.6 mt -74.18 177.04 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -108.62 155.59 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -51.0 -28.24 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.49 -52.74 42.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -38.98 -60.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG12 ' CD1' ' A' ' 65' ' ' TYR . 78.8 t -53.12 -56.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -45.88 -65.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.1 m -61.1 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.484 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 60.1 t90 -37.84 -44.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.559 ' CD1' HG12 ' A' ' 61' ' ' VAL . 4.9 m-85 -64.01 -63.47 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' TYR . 4.2 tp60 -36.5 -56.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -51.31 -38.13 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 -74.3 -37.16 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HD3' ' CE2' ' A' ' 41' ' ' TYR . 42.0 mtm180 -56.52 -42.16 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.9 mmt -46.06 -55.25 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -64.03 -44.34 92.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.415 ' CE2' ' HD2' ' A' ' 40' ' ' LYS . 29.4 t90 -53.89 -41.0 67.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -79.68 141.56 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -126.8 177.22 6.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 m -86.43 -56.97 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . 148.05 -62.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 54.0 Cg_endo -69.69 114.93 3.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.749 2.299 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 m -158.56 166.03 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t 55.28 42.17 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -120.23 147.21 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -134.95 142.12 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.57 72.76 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -159.67 176.92 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -140.35 124.2 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.17 158.8 9.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.68 158.25 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -142.51 145.16 33.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.23 108.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -129.24 95.87 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -171.36 111.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.7 141.8 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -128.47 87.58 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 176.09 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.26 86.4 1.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -159.54 135.41 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -107.99 130.07 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -110.65 116.8 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -114.67 -46.85 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.2 p -55.69 130.65 44.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.2 t -98.59 36.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 2.8 m-85 -112.2 147.77 35.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' GLU . 1.7 t -95.31 155.78 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 2.9 mp0 -34.83 -46.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.79 -68.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' 54' ' ' LEU . 3.2 mm100 -49.57 -48.64 48.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.52 -44.79 81.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttp -55.27 -43.27 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.3 34.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.6 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -33.06 72.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -66.78 -52.08 48.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.6 mmt-85 -63.76 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -44.05 -52.51 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -49.03 -51.98 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.91 -60.21 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -106.85 105.6 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 28.6 mmtm -49.01 -35.2 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 40' ' ' LYS . 1.4 m-85 -147.63 118.52 7.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 2.3 mt -76.05 158.25 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -76.91 -176.18 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.494 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.11 13.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.102 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.3 Cg_endo -69.72 -42.35 3.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 48.3 t0 -43.52 -59.46 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -44.6 -36.8 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.23 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -40.78 -40.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 tp -74.52 -57.23 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.21 -19.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -89.11 -31.75 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 p -67.11 -48.51 67.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.429 ' HB3' ' NE2' ' A' ' 28' ' ' GLN . 17.2 mt -87.97 -26.04 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.55 23.84 20.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.8 mt -90.71 179.14 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLN . 23.4 t -103.54 133.2 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' SER . 44.0 mt-30 -34.21 -46.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 60' ' ' GLN . 49.9 tp -50.8 -53.67 30.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.583 ' OE1' ' CE2' ' A' ' 24' ' ' PHE . 42.7 mt-30 -37.66 -67.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 65' ' ' TYR . 59.9 t -49.43 -40.49 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -60.01 -60.78 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.6 m -67.2 -60.65 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 32' ' ' LEU . 46.2 t90 -37.91 -48.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' CD1' HG12 ' A' ' 61' ' ' VAL . 4.8 m-85 -55.84 -65.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -43.24 -52.72 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -56.32 -44.95 80.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -57.81 -38.22 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -50.18 -48.34 54.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.4 mmt -42.35 -58.92 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -64.8 -39.41 93.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -57.12 -37.01 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -51.92 121.27 6.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -53.16 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.2 p -112.21 173.95 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.05 -158.28 7.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -3.48 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.3 p -43.25 107.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -75.07 161.32 29.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -149.34 155.98 41.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -132.47 -60.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.3 -100.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t 66.42 44.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -103.97 168.53 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -179.87 28.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.63 129.58 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -127.64 78.02 75.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.44 67.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.68 123.99 6.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.444 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 14' ' ' ALA . 34.0 p -129.98 121.12 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -38.45 -26.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' THR . . . 34.94 50.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -113.11 46.31 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -46.06 -49.62 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.22 -178.23 33.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -120.16 95.61 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -166.35 122.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -174.81 112.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -88.41 103.94 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.6 t -174.85 150.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.14 135.23 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.88 156.24 16.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 p -94.89 157.68 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.1 -40.53 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.94 -52.6 41.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -55.82 -44.94 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.5 -40.66 93.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.3 ttp -61.72 -38.35 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.78 -51.46 5.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 22.3 mt -49.8 -34.42 19.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.86 -30.46 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.88 -32.98 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.9 mmt180 -82.2 -42.57 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.9 t80 -63.02 -55.46 25.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 6.7 pt-20 -46.36 -49.68 17.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 28.0 mttm -70.36 -61.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -99.91 94.35 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 41' ' ' TYR . 17.9 mmtm -44.48 -30.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 1.4 m-85 -149.33 113.41 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD11 ' CG1' ' A' ' 61' ' ' VAL . 14.3 mt -73.7 121.57 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -49.23 173.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.99 -59.12 7.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.73 -38.08 8.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.05 -48.6 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.59 -42.41 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.49 -62.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -39.71 -43.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 tp -67.81 -55.49 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.03 -18.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -89.82 -32.31 16.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.9 m -76.63 -43.95 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 77.0 mt -83.89 -25.13 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.77 11.56 49.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.2 mt -94.28 176.83 6.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.356 . . . . 0.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.719 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 74.4 m -105.93 172.73 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -65.12 -19.08 65.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.7 tp -75.57 -55.63 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.719 ' NE2' ' H ' ' A' ' 57' ' ' SER . 2.3 mp0 -40.4 -62.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 65' ' ' TYR . 26.3 t -55.08 -52.38 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.05 -65.63 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.2 m -59.3 -62.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 17.4 t90 -39.66 -49.76 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.543 ' CE1' HG11 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.66 -58.23 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -41.57 -48.73 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -67.28 -47.55 70.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 2.9 mmp_? -49.33 -31.4 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.419 ' HD3' ' CE2' ' A' ' 41' ' ' TYR . 73.4 mtm180 -72.3 -42.1 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mmt -47.53 -32.22 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -94.34 -50.09 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' LYS . 7.7 t90 -49.91 -50.18 47.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' TRP . 11.9 ttmt -34.05 132.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.06 106.15 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.6 t -148.67 131.07 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.11 -95.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 139.16 39.29 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.2 t -86.64 80.46 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p 43.04 36.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -146.96 115.64 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -126.55 174.63 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.47 -150.11 7.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -172.07 175.38 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -165.68 176.88 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.3 -160.59 9.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.35 129.24 2.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -151.94 146.71 18.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -178.72 2.49 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.8 -146.97 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.2 p -143.67 114.06 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -171.98 115.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.58 111.68 24.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 143.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -107.45 83.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 39.46 84.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -54.75 106.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -67.49 95.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p -120.87 -178.78 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -116.0 43.78 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.801 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.2 p -80.08 118.52 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.67 133.87 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -109.26 158.48 17.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' LEU . 23.1 p -103.73 146.27 28.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' THR . 13.2 mt-10 -34.86 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' THR . 6.2 tt -71.1 -57.99 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -54.6 -46.47 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.14 -42.01 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 ttp -50.84 -39.59 53.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.928 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.44 -46.46 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.3 mt -55.87 -47.46 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.0 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -57.16 -55.48 34.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -62.19 -54.44 40.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.6 t80 -48.84 -45.06 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.46 -54.2 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -55.54 -58.45 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.3 tt0 -120.11 104.54 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLN . 42.0 mmtt -37.71 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' GLN . 26.5 m-85 -132.43 -176.18 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD11 ' CZ ' ' A' ' 65' ' ' TYR . 44.6 mt -143.5 140.7 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.441 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 14.7 m -68.29 165.44 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.499 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -47.94 -59.13 6.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.18 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.69 -21.98 33.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.441 ' HB2' ' N ' ' A' ' 43' ' ' SER . 2.2 m-20 -65.81 -50.11 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 44.0 ttp180 -62.43 -37.24 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.64 -44.22 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.66 -38.61 89.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.62 -55.11 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.42 -30.39 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.43 -31.35 53.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -73.98 -47.98 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.02 -22.99 36.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.39 33.08 14.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.7 mt -106.35 177.04 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 59' ' ' LEU . 63.0 m -100.49 130.91 46.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' SER . 16.8 mt-30 -36.4 -31.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' SER . 46.0 tp -65.21 -48.6 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 15.2 mm-40 -42.96 -59.26 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 65' ' ' TYR . 62.6 t -55.34 -50.33 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 4.9 tmtm? -50.84 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' TRP . 31.5 m -64.06 -60.55 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 74.7 t90 -37.83 -47.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HG11 ' A' ' 61' ' ' VAL . 5.2 m-85 -59.06 -56.22 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -49.92 -46.64 52.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -62.85 -17.32 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.458 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.9 mmm180 -92.78 -51.99 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 10.0 mtp-105 -53.39 -36.14 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.415 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 4.3 ptt? -59.94 -45.14 93.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' MET . 53.0 tttt -79.01 -22.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -77.23 -42.03 38.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -51.67 118.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -57.39 -49.71 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -90.88 55.28 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.83 144.59 17.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -85.46 129.22 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -102.12 166.01 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -174.71 159.85 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -153.39 177.89 10.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.36 162.73 11.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -147.24 155.46 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -168.61 163.28 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.4 166.96 34.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.59 -114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 33.8 mt-10 45.38 53.59 12.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 53.2 Cg_endo -69.78 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.64 170.17 17.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -173.87 149.45 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -141.45 162.17 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.27 178.36 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.57 174.28 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -100.4 142.94 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.83 -139.26 10.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -169.7 -178.5 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.38 150.06 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.5 p -166.65 178.61 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -98.0 -50.25 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 t -52.72 155.48 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.29 13.37 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' CD1' HD12 ' A' ' 32' ' ' LEU . 62.9 m-85 -83.7 134.78 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 80.8 p -76.37 148.22 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 16.6 mt-10 -37.28 -41.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.64 -51.4 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' CD ' HD22 ' A' ' 56' ' ' LEU . 32.0 mm-40 -56.29 -48.58 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.67 -42.61 93.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.9 ttp -58.25 -45.25 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.78 -53.31 9.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 16.1 mt -45.48 -49.39 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.3 -40.48 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -51.69 -53.49 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -67.54 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.8 t80 -37.74 -42.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.66 -44.34 86.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 34.9 mttm -63.95 -47.35 80.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 8.5 tt0 -132.97 102.45 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -34.53 -42.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -126.0 158.66 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -123.6 129.11 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 m -56.88 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.497 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -61.74 -59.09 14.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.81 -35.02 13.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.36 -57.03 14.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.0 ttm105 -52.95 -34.08 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.423 HG12 ' CD ' ' A' ' 58' ' ' GLN . 88.5 mt -70.22 -56.79 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.24 -46.85 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.7 tp -64.02 -59.17 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.01 -27.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -82.48 -34.86 27.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -61.6 -46.98 87.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.05 -27.48 17.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.27 37.24 5.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD22 ' CD ' ' A' ' 28' ' ' GLN . 98.8 mt -103.82 175.14 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' GLN . 14.3 t -95.28 129.74 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' SER . 50.4 mt-30 -34.38 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.77 -51.81 66.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.9 mm-40 -39.05 -63.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.569 HG13 ' CD1' ' A' ' 65' ' ' TYR . 66.2 t -49.77 -48.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -53.53 -63.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.8 m -62.49 -62.97 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 30.5 t90 -37.84 -47.78 1.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.569 ' CD1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -56.76 -57.47 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -48.2 -57.69 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.08 -41.11 74.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 4.1 mmm180 -57.76 -43.79 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 70' ' ' MET . 14.7 mtp-105 -49.57 -57.78 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' ARG . 2.6 mmt -36.32 -61.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -50.96 -48.86 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -43.99 -46.72 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -94.55 127.49 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 t -144.83 161.22 39.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.62 -158.2 27.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 95.45 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.317 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -93.51 179.93 5.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.0 p -86.53 163.43 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -41.66 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -115.29 -61.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 175.81 -50.75 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.474 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.0 t -34.58 132.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -127.37 -56.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.58 -168.84 26.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.51 -164.76 13.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -118.28 144.21 34.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -174.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.85 93.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.7 m -51.09 137.62 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 142.38 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.09 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -168.29 136.56 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -156.95 115.95 3.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.24 -163.11 32.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? 69.03 53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -144.76 149.71 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m 44.31 45.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ttm105 -54.93 125.51 20.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 p -121.76 138.68 54.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.73 129.73 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.36 169.12 8.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -100.41 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.45 -35.93 75.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -71.21 -59.01 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.72 -44.31 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.58 -42.35 98.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.4 ttp -52.41 -44.77 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.82 -47.83 13.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.0 mt -51.27 -47.14 62.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.56 -38.57 90.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -64.57 -41.58 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.75 -43.5 58.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.6 t80 -64.78 -43.72 92.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 6.8 pt-20 -66.11 -43.38 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 51.5 mmtt -65.25 -43.43 91.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.97 103.31 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.6 mmtt -35.92 -39.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -127.9 169.38 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.3 mt -131.31 130.34 42.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 m -64.47 176.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.501 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.62 -59.04 11.47 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.78 -28.46 25.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -59.61 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -52.7 -44.29 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.453 HG12 ' NE2' ' A' ' 58' ' ' GLN . 59.0 mt -61.33 -57.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -43.41 -50.12 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' A' ' 54' ' ' LEU . 13.0 tp -59.96 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -38.58 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.74 -47.09 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -50.62 -51.42 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' CD1' HD13 ' A' ' 50' ' ' LEU . 63.8 mt -85.13 -21.1 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.44 55.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' ALA . 59.5 mt -68.17 175.89 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLN . 4.6 m -109.37 145.43 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.453 ' NE2' HG12 ' A' ' 48' ' ' ILE . 37.8 mt-30 -36.98 -43.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLN . 11.3 tp -52.76 -56.98 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' LEU . 10.0 mm-40 -35.5 -59.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 65' ' ' TYR . 85.7 t -55.33 -54.99 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -47.14 -61.93 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' TRP . 34.4 m -63.57 -63.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.495 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t90 -37.9 -48.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' HG11 ' A' ' 61' ' ' VAL . 4.4 m-85 -58.99 -65.76 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' TYR . 36.0 tt0 -36.03 -48.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.26 -59.48 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -42.45 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' MET . 53.2 mtm-85 -39.53 -58.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.469 ' HA ' ' CG ' ' A' ' 73' ' ' LYS . 7.3 mmt -35.15 -49.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -57.7 -50.11 74.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.33 -42.11 98.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 70' ' ' MET . 17.1 ptmt -82.23 169.39 16.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.1 tttt 43.05 38.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 m -139.55 106.56 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.67 -84.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -10.75 29.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.608 2.206 . . . . 0.0 112.321 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t 42.7 42.24 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t -109.25 90.01 3.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -133.26 177.18 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 p -143.19 176.85 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.7 152.12 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -167.24 130.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -157.42 135.59 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.93 167.51 19.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.83 121.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -125.1 142.4 41.21 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.629 0.728 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 159.77 52.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.08 131.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -158.32 107.44 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -119.33 126.92 52.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.41 108.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.29 158.46 28.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -88.21 -55.31 3.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.51 -99.36 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 19' ' ' ARG . 16.5 tpt180 -128.15 152.24 48.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 64.5 ttt180 -69.65 -50.84 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -171.98 152.51 2.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -88.32 -49.23 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -110.49 162.84 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -95.86 11.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.661 ' CZ ' ' NE2' ' A' ' 60' ' ' GLN . 63.2 m-85 -83.26 138.59 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.0 p -83.62 145.23 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -39.43 -36.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.78 -51.04 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.9 mt-30 -59.7 -46.62 88.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.29 -41.7 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttp -51.5 -44.06 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.68 -54.2 6.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.6 mt -49.11 -45.02 42.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -67.97 -40.9 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -59.22 -48.19 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' NH1' ' OE1' ' A' ' 39' ' ' GLN . 8.6 mmt180 -66.58 -51.78 52.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.3 t80 -55.95 -55.86 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 4.0 pt-20 -49.46 -31.16 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 62.1 mmtt -82.09 -40.43 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 35' ' ' ARG . 2.3 pt20 -140.27 125.36 18.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -60.38 -14.83 20.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 46.7 m-85 -149.26 -177.48 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' CZ ' ' A' ' 65' ' ' TYR . 11.5 mt -151.18 145.13 25.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 m -58.56 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.503 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -68.04 -58.45 7.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.682 . . . . 0.0 111.113 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.79 -14.7 36.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 33.4 t0 -69.61 -57.1 5.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' NE ' ' HB3' ' A' ' 58' ' ' GLN . 51.8 ttp180 -51.48 -40.68 59.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.43 -55.7 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -48.47 -49.3 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.0 tp -65.36 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -39.56 -30.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -77.14 -42.25 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 50.6 m -59.41 -47.09 86.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.4 -20.53 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.08 10.59 59.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' ALA . 87.7 mt -88.79 175.28 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLN . 74.2 m -108.49 142.11 39.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' SER . 18.3 mt-30 -34.46 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.4 tp -50.42 -54.06 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.661 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 9.9 mm100 -42.61 -63.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.568 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.5 t -53.88 -55.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.408 HG21 ' ND2' ' A' ' 67' ' ' ASN . 32.4 m -62.01 -62.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.553 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 62.2 t90 -37.69 -46.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.568 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.6 m-85 -63.26 -61.74 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -47.39 -43.88 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.408 ' ND2' HG21 ' A' ' 63' ' ' THR . 20.8 m-20 -67.93 -22.62 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.553 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 -85.01 -57.17 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' TRP . 12.4 mtp-105 -44.4 -57.34 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 6.5 ptp -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 70' ' ' MET . 4.5 tmtm? -69.29 -31.25 69.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ARG . 9.7 t90 -67.87 -53.51 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -55.23 -35.35 64.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -102.36 82.24 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -97.77 112.27 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.02 152.35 28.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -29.64 23.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -87.77 105.84 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.5 p -131.79 152.74 50.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.454 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 96.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.949 0.404 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' GLU . 73.7 p -80.67 145.08 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' THR . 41.8 mm-40 -37.44 -41.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.43 -54.83 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.08 -52.7 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -54.15 -48.37 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttp -48.63 -46.79 40.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.89 62.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 37.0 mt -57.15 -42.57 81.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.91 -38.23 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.1 -51.63 67.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG3' HD13 ' A' ' 50' ' ' LEU . 23.4 mmt-85 -61.27 -65.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.58 -57.11 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -46.11 -54.48 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.77 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -129.22 98.76 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.61 121.17 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.814 HD12 HG11 ' A' ' 61' ' ' VAL . 24.7 mt -80.43 171.76 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 m -92.87 174.41 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.89 -59.13 11.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.118 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.77 -44.25 2.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -62.31 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.7 ttm105 -42.4 -36.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.43 -54.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -46.75 -42.12 16.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.721 HD11 HD12 ' A' ' 54' ' ' LEU . 11.1 tp -65.79 -57.25 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -47.71 -24.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.64 -31.47 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -44.59 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.721 HD12 HD11 ' A' ' 50' ' ' LEU . 50.1 mt -88.67 -23.06 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.35 19.77 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.639 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 95.2 mt -93.24 175.5 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' GLN . 33.0 m -100.4 133.57 44.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' SER . 44.3 mt-30 -35.36 -43.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.33 -45.7 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.485 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 15.9 mm-40 -44.31 -64.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.814 HG11 HD12 ' A' ' 42' ' ' LEU . 21.5 t -49.33 -53.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -49.98 -61.85 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -61.54 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.4 t90 -37.98 -46.13 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.744 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.1 m-85 -57.67 -69.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' TYR . 29.9 mt-30 -36.0 -52.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -55.42 -45.02 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' TYR . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE1' HD22 ' A' ' 56' ' ' LEU . 25.8 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.973 0.416 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' GLU . 6.9 p -83.52 154.96 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' THR . 35.0 mt-10 -37.19 -48.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.76 -58.33 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.39 -51.35 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -39.48 76.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ttp -55.77 -45.11 78.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.27 -35.75 52.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 15.4 mt -61.68 -43.62 98.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -71.62 -34.17 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -62.71 -53.89 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 50' ' ' LEU . 9.1 mmt180 -64.77 -44.53 89.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -62.25 -41.39 98.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.52 -54.77 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.72 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' TYR . 29.8 tt0 -133.99 91.31 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 17.3 mmtm -37.33 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' GLN . 1.7 m-85 -124.04 -179.68 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.897 HD12 HG11 ' A' ' 61' ' ' VAL . 88.4 mt -147.7 132.52 18.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -64.66 171.86 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -55.67 -59.13 12.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.619 0.723 . . . . 0.0 111.148 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.52 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.75 -18.06 37.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -73.76 -65.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -43.95 -35.76 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.41 -56.18 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -47.05 -49.75 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 54' ' ' LEU . 14.7 tp -60.78 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -41.14 -27.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' LEU . 6.9 mt-10 -83.39 -42.09 17.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 30.6 m -57.75 -53.46 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 50' ' ' LEU . 35.2 mt -81.39 -24.51 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.09 3.68 56.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 10.8 mt -75.86 170.72 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLN . 3.8 m -102.93 141.47 35.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' SER . 54.0 mt-30 -36.4 -42.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.97 -45.71 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' SER . 5.3 mm-40 -46.33 -64.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.899 HG13 ' CE1' ' A' ' 65' ' ' TYR . 46.4 t -52.79 -54.32 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -47.12 -63.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.0 m -62.64 -63.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 31.7 t90 -37.86 -47.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.899 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.6 m-85 -60.89 -64.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' TYR . 54.3 mt-30 -34.78 -57.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -57.82 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CE1' ' OE1' ' A' ' 60' ' ' GLN . 89.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 4.1 p -85.6 151.99 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 40.1 mt-10 -37.42 -38.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.27 -66.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.613 ' HB3' HD11 ' A' ' 56' ' ' LEU . 84.5 mt-30 -47.12 -38.28 11.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.8 -40.5 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 ttp -62.78 -37.53 87.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.22 -39.73 11.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.9 -45.92 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.56 -42.39 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -53.6 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.63 -63.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.1 t80 -39.46 -41.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.24 -54.56 19.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -54.32 -43.84 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.2 tt0 -133.23 101.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLN . 45.7 mmtt -36.87 -35.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 3.6 m-85 -128.34 -177.07 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.737 HD12 HG11 ' A' ' 61' ' ' VAL . 82.2 mt -143.58 137.57 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -68.48 176.78 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.63 -59.18 11.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.688 . . . . 0.0 111.126 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.2 Cg_endo -69.68 -40.56 5.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.91 -56.74 13.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -49.74 -40.45 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.79 -62.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -38.45 -49.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 tp -62.09 -58.72 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -44.94 -30.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.24 -34.13 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.2 t -69.84 -42.21 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 28' ' ' GLN . 86.4 mt -90.09 -28.11 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.66 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.778 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 53.0 mt -97.48 167.95 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.1 m -93.55 139.04 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' SER . 45.7 mt-30 -36.79 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.4 tp -64.75 -55.48 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.506 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 8.1 mm-40 -37.87 -58.64 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.852 HG13 ' CE1' ' A' ' 65' ' ' TYR . 87.5 t -57.19 -56.32 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -45.87 -62.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' TRP . 26.6 m -65.39 -62.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 76.4 t90 -37.85 -44.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.852 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.4 m-85 -61.81 -58.52 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -48.89 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.05 -18.74 48.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 33.7 mmt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 p -78.43 163.0 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.88 -44.27 14.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.79 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -47.5 -47.56 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 mt -63.31 -47.15 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.0 ttp -46.73 -41.44 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.94 -39.72 16.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 47.5 mt -59.69 -41.5 90.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -67.78 -41.09 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -62.84 -59.44 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.855 ' HG3' HD13 ' A' ' 50' ' ' LEU . 14.9 mmm180 -56.49 -46.35 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.3 t80 -61.51 -47.84 83.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.1 -54.77 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -55.78 -52.71 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.6 tt0 -122.0 95.6 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 16.6 mmmt -34.34 -40.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.16 125.06 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.81 HD12 HG11 ' A' ' 61' ' ' VAL . 4.8 mt -83.09 148.49 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.1 -176.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.13 13.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.76 -47.39 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -57.28 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -49.73 -46.63 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.89 -61.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -38.23 -48.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.855 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.3 tp -61.3 -65.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.789 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -36.43 -35.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -77.29 -42.99 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' LEU . 47.8 t -59.35 -44.6 92.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 50' ' ' LEU . 95.9 mt -87.63 -25.95 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.25 -5.54 38.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.789 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 23.9 mt -77.55 174.84 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -107.4 156.12 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -47.7 -30.12 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' GLN . 59.6 tp -63.68 -61.49 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.9 mm100 -34.69 -59.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG11 HD12 ' A' ' 42' ' ' LEU . 48.3 t -52.14 -55.94 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -64.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -60.51 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 38.6 t90 -38.1 -44.95 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.703 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -62.42 -62.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -44.45 -52.49 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -58.26 -51.83 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.63 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 68.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 69.8 p -103.66 148.17 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 43.4 mt-10 -36.06 -41.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.3 tt -67.08 -58.56 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -50.28 -44.94 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.95 -47.04 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttp -52.96 -42.66 65.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.58 -55.73 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -44.45 -47.29 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.7 -41.79 87.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -52.71 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -67.19 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 4.2 t80 -37.56 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -62.97 -49.45 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -61.03 -50.15 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.6 tt0 -126.61 98.76 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 22.9 mmtt -36.2 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' GLN . 29.0 m-85 -132.31 -178.51 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 HG11 ' A' ' 61' ' ' VAL . 47.9 mt -145.14 142.25 29.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -69.15 -175.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -63.21 -59.17 12.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.189 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HA ' HD12 ' A' ' 48' ' ' ILE . 53.7 Cg_endo -69.76 -43.88 2.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -60.16 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -46.73 -41.85 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 45' ' ' PRO . 52.9 mt -62.97 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.5 tp -64.02 -60.92 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.2 -29.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -78.11 -35.29 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.1 t -68.45 -42.56 78.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -25.95 21.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 31.67 11.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -103.35 176.31 5.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.0 m -99.62 136.64 39.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.459 ' NE2' HG12 ' A' ' 48' ' ' ILE . 80.3 mt-30 -37.7 -42.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.93 -43.6 81.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.63 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 14.6 mm100 -45.07 -58.9 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.904 HG13 ' CE1' ' A' ' 65' ' ' TYR . 99.3 t -55.3 -54.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -46.23 -65.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.7 m -63.81 -61.31 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 71.1 t90 -37.94 -47.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.904 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.4 m-85 -59.54 -55.71 31.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.37 -51.99 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -56.68 -20.79 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 6.2 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.69 ' CE2' ' NE2' ' A' ' 60' ' ' GLN . 29.9 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -89.32 168.7 12.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.31 -35.63 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 tp -70.53 -59.26 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -54.29 -46.38 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.75 -48.62 80.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.9 ttp -46.11 -42.48 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.27 -49.42 6.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 19.0 mt -53.98 -33.01 55.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -76.33 -37.13 57.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -65.97 -37.31 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -76.89 -48.92 16.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -59.37 -42.9 92.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.76 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -75.46 -55.4 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.9 tt0 -124.39 108.87 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.5 mmtm -36.58 -41.17 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -134.44 142.66 47.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.972 HD12 HG11 ' A' ' 61' ' ' VAL . 30.7 mt -97.23 125.53 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -53.3 161.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -39.52 -59.2 1.69 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.625 0.726 . . . . 0.0 111.166 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.78 -44.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.35 -60.71 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -47.4 -38.61 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 45' ' ' PRO . 68.6 mt -66.58 -57.77 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -44.31 -41.39 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' SER . 12.6 tp -68.14 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.65 -27.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.42 -40.48 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m -57.88 -49.56 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.56 -28.33 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.39 29.06 9.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.502 HD22 ' NE2' ' A' ' 60' ' ' GLN . 48.3 mt -93.93 -178.58 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' LEU . 26.9 t -103.95 136.06 44.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -38.32 -29.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' SER . 26.7 tp -67.3 -50.54 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.69 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 8.7 mt-30 -39.6 -61.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.972 HG11 HD12 ' A' ' 42' ' ' LEU . 24.2 t -55.82 -51.83 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -50.34 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.442 HG22 ' OD1' ' A' ' 67' ' ' ASN . 31.6 m -61.92 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 32.3 t90 -38.11 -47.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.63 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.53 -69.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -40.51 -46.66 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.442 ' OD1' HG22 ' A' ' 63' ' ' THR . 13.6 m120 -63.22 -34.9 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' TYR . 19.9 mmt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLU . 46.5 p -77.48 146.53 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' THR . 18.9 mt-10 -37.87 -44.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.65 -53.3 53.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.73 ' CD ' HD21 ' A' ' 56' ' ' LEU . 31.4 mm-40 -55.76 -45.06 78.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttp -57.64 -37.85 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.18 -50.4 5.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.1 mt -54.07 -38.09 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -73.33 -35.85 66.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -34.36 77.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 50' ' ' LEU . 14.6 mmt180 -79.46 -44.44 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 4.2 t80 -64.72 -50.93 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.0 pt-20 -53.81 -47.17 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 17.9 mtpp -64.16 -56.68 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -121.95 110.63 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -41.96 -42.65 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -126.98 157.7 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.839 HD12 HG11 ' A' ' 61' ' ' VAL . 60.0 mt -114.84 146.95 40.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -72.69 157.5 37.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -41.88 -59.1 2.75 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.549 0.69 . . . . 0.0 111.128 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 44' ' ' THR . 53.8 Cg_endo -69.8 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.7 m-20 -52.5 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 18.5 ttp-105 -38.1 -36.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.07 -54.33 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -44.68 -46.51 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 ' HG3' ' A' ' 35' ' ' ARG . 9.9 tp -65.1 -57.73 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -46.5 -25.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.01 -29.97 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.2 t -68.64 -44.85 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.79 -28.45 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.52 30.17 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.73 HD21 ' CD ' ' A' ' 28' ' ' GLN . 14.9 mt -96.55 170.59 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.4 m -97.58 131.78 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' SER . 42.0 mt-30 -34.24 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' SER . 33.9 tp -61.22 -51.9 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 16.3 mm-40 -41.24 -59.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.839 HG11 HD12 ' A' ' 42' ' ' LEU . 27.1 t -57.21 -56.23 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -46.55 -62.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -64.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 76.6 t90 -37.81 -48.05 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.762 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.1 m-85 -58.34 -62.26 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -45.03 -56.13 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -52.04 -44.44 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.556 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 16.1 mmm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.967 0.413 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.9 p -85.41 160.11 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -48.24 -41.65 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.68 -56.69 9.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.435 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.0 mt-30 -52.22 -49.66 63.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.78 -49.47 76.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.7 ttp -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.62 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -66.9 -48.11 62.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 49.2 mt -57.86 -41.5 82.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -68.53 -46.22 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -57.05 -43.37 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.598 ' HG3' HD13 ' A' ' 50' ' ' LEU . 27.6 mmt-85 -73.46 -46.92 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 36' ' ' PHE . 4.2 t80 -60.26 -27.28 67.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -73.31 -53.58 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -65.7 -49.31 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.474 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 10.8 tt0 -117.8 103.82 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -47.91 -42.1 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.8 117.99 15.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.718 HD12 HG11 ' A' ' 61' ' ' VAL . 15.1 mt -76.76 144.3 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 m -66.83 -177.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -59.28 -59.13 14.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.573 0.701 . . . . 0.0 111.179 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.523 ' N ' HG22 ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.8 -44.38 2.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -45.41 -63.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 59.4 ttp180 -42.36 -42.98 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 45' ' ' PRO . 64.9 mt -61.34 -62.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.61 -43.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 35' ' ' ARG . 12.5 tp -67.67 -65.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -38.27 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' LEU . 29.3 mm-40 -81.21 -42.43 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' LEU . 73.8 m -55.92 -50.37 70.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.62 HD11 ' HA3' ' A' ' 31' ' ' GLY . 96.1 mt -83.48 -24.22 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.0 -3.83 48.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.559 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 62.7 mt -74.88 175.92 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.3 m -105.21 165.55 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -54.65 -36.56 64.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 60' ' ' GLN . 28.2 tp -56.95 -60.48 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.7 mm-40 -34.44 -64.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 42' ' ' LEU . 81.6 t -53.59 -56.6 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 40.2 tttt -46.96 -64.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -60.94 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 26.7 t90 -37.86 -48.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.615 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.1 m-85 -58.03 -57.08 14.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.13 -57.0 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -54.96 -19.6 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 22.5 mmm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 59.5 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 p -82.71 164.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -49.71 -41.55 43.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.52 -55.9 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.831 ' HB3' HD21 ' A' ' 56' ' ' LEU . 6.5 mm100 -55.3 -53.82 51.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.65 -39.82 85.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.8 ttp -48.89 -41.01 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.24 -48.8 5.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 56' ' ' LEU . 43.5 mt -48.38 -44.1 34.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.64 -41.98 83.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -61.01 -57.91 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' PHE . 42.2 mmt-85 -59.42 -65.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -37.07 -56.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.66 -54.64 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.15 -34.19 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -143.45 116.6 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -54.14 -15.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 3.4 m-85 -150.97 -176.1 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.76 HD12 HG11 ' A' ' 61' ' ' VAL . 8.3 mt -149.36 137.79 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -58.37 174.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.92 -59.16 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.8 -39.94 5.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -59.26 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.3 ttm105 -52.56 -31.25 35.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 45' ' ' PRO . 79.9 mt -72.44 -47.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.74 -45.1 78.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.93 -57.0 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.21 -34.6 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -65.85 -50.0 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 28' ' ' GLN . 33.1 mt -83.77 -29.03 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 11.62 41.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 28' ' ' GLN . 14.6 mt -81.09 -177.91 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.5 t -109.42 136.64 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' SER . 65.0 mt-30 -34.36 -46.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.48 -45.88 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.497 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.2 mm-40 -44.77 -67.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.798 HG13 ' CE1' ' A' ' 65' ' ' TYR . 60.5 t -48.71 -50.27 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -50.63 -62.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.2 m -63.25 -63.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 65.8 t90 -37.72 -44.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.798 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -62.34 -65.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -38.38 -53.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.89 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 3.9 mmp_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -95.89 148.83 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.41 -37.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.08 -48.03 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' CD ' HD21 ' A' ' 56' ' ' LEU . 93.5 mt-30 -61.94 -47.93 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.58 -45.2 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.16 -42.99 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.91 -54.65 5.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.879 HD11 ' CD1' ' A' ' 56' ' ' LEU . 15.9 mt -46.57 -42.28 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.02 -50.14 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -48.72 -50.13 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.51 ' HG2' HD13 ' A' ' 50' ' ' LEU . 8.0 mpt_? -68.35 -62.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.0 t80 -41.4 -39.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.29 -46.53 73.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -42.03 97.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.95 92.02 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 26.4 mmtm -33.9 -40.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -123.66 159.44 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 61' ' ' VAL . 73.5 mt -124.56 158.81 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t -82.97 165.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.99 -59.03 8.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.515 ' N ' HG22 ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -57.68 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -43.93 -41.06 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 45' ' ' PRO . 55.7 mt -64.25 -55.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.53 -50.51 23.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' ' 35' ' ' ARG . 14.1 tp -61.06 -57.69 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -44.7 -32.86 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.45 -34.7 60.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -66.27 -45.37 80.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.59 -27.27 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.11 29.47 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.879 ' CD1' HD11 ' A' ' 32' ' ' LEU . 89.8 mt -102.94 174.72 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.1 m -97.7 142.15 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.9 -40.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -43.27 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -47.6 -63.03 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.681 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.7 t -53.9 -40.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -59.16 -62.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' TRP . 54.7 m -66.94 -58.98 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.579 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 22.2 t90 -37.87 -48.99 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -58.69 -65.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' TYR . 33.8 tt0 -36.99 -42.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -70.82 -51.57 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 1.4 mmp_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 52.5 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -100.73 155.18 18.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -45.51 -42.29 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.31 -54.52 23.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.492 ' HB3' HD11 ' A' ' 56' ' ' LEU . 65.9 mt-30 -53.47 -48.38 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.01 -46.67 89.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.98 -44.85 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -46.89 20.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 26.0 mt -51.42 -49.66 61.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.15 -42.96 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -48.89 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG3' HD13 ' A' ' 50' ' ' LEU . 10.6 mmt180 -70.62 -65.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.9 t80 -37.32 -49.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -65.25 -58.99 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -110.49 93.66 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -39.69 -37.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -138.37 116.32 11.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.589 HD12 HG11 ' A' ' 61' ' ' VAL . 13.5 mt -74.28 178.17 5.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -102.3 169.86 8.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.57 -59.15 7.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.154 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.79 -46.09 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.31 -55.78 14.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -44.05 -38.32 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.83 -59.2 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.66 -50.36 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' SER . 15.2 tp -63.1 -60.41 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -76.81 -35.74 57.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 45.7 m -63.23 -46.51 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 28' ' ' GLN . 20.7 mt -88.19 -25.26 23.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 33.91 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 28' ' ' GLN . 73.7 mt -100.66 177.68 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.2 m -99.88 130.67 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' SER . 40.0 mt-30 -34.29 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.9 tp -62.56 -49.26 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.599 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.6 mm-40 -41.27 -56.56 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.607 HG13 ' CE1' ' A' ' 65' ' ' TYR . 71.6 t -54.58 -58.46 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -46.83 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.5 m -62.06 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.7 t90 -37.87 -45.05 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.607 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.0 m-85 -60.66 -59.2 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -40.72 -60.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -57.0 -49.05 76.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.943 0.401 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' GLU . 60.3 p -103.75 143.01 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' THR . 47.3 mt-10 -35.94 -43.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.11 -59.42 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.606 ' HB3' HD11 ' A' ' 56' ' ' LEU . 88.5 mt-30 -51.41 -46.02 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.7 -44.11 97.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.6 ttp -53.04 -44.6 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.18 -43.72 46.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 35.2 mt -54.2 -46.33 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.63 -40.39 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -49.85 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.645 ' HG3' HD22 ' A' ' 50' ' ' LEU . 16.2 mmt180 -64.53 -50.64 66.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -59.29 -44.97 92.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.48 -54.74 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.74 -57.67 8.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' HG2' ' C ' ' A' ' 41' ' ' TYR . 30.3 tt0 -110.25 95.92 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -43.07 -35.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.438 ' C ' ' HG2' ' A' ' 39' ' ' GLN . 2.5 m-85 -137.11 110.09 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 61' ' ' VAL . 36.3 mt -71.39 147.82 47.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -74.44 174.84 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -56.68 -59.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.78 -32.9 17.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.14 -59.07 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.3 ttm105 -44.82 -37.16 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.88 -58.98 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 35' ' ' ARG . 14.2 tp -58.74 -61.41 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -41.52 -31.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.25 -40.79 58.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' LEU . 33.1 t -61.28 -45.26 95.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 28' ' ' GLN . 47.7 mt -89.67 -25.31 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.49 31.81 11.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 28' ' ' GLN . 78.3 mt -100.39 -179.85 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' GLN . 18.4 m -104.67 133.31 49.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' SER . 36.2 mt-30 -36.01 -39.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.74 -46.84 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' SER . 15.2 mm-40 -45.72 -68.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 42' ' ' LEU . 6.7 t -45.22 -48.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -53.5 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' TRP . 89.6 m -63.68 -62.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 20.8 t90 -37.81 -44.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.7 m-85 -61.82 -57.63 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.03 -56.13 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -52.88 -45.07 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 32' ' ' LEU . 2.4 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 28' ' ' GLN . 9.3 t -77.39 152.24 34.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -41.06 -33.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.92 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.646 ' H ' HG23 ' A' ' 25' ' ' THR . 20.8 mt-30 -49.69 -33.16 15.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 24' ' ' PHE . 21.1 mt -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ttp -58.8 -40.64 84.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.68 -50.46 30.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 24' ' ' PHE . 12.7 mt -42.88 -45.8 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.73 -47.77 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -56.01 -62.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.822 ' HG3' HD13 ' A' ' 50' ' ' LEU . 10.5 mmp_? -50.37 -56.81 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -52.73 -41.1 63.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.75 -47.69 83.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -60.59 -52.32 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' TYR . 3.6 tt0 -126.1 102.23 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -37.56 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -153.46 114.79 4.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 HG11 ' A' ' 61' ' ' VAL . 2.9 mt -70.69 157.71 37.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -77.52 176.29 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.2 -59.03 9.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.543 0.687 . . . . 0.0 111.135 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.78 -45.17 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -56.24 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 58' ' ' GLN . 37.0 ttp180 -46.96 -36.78 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 45' ' ' PRO . 73.1 mt -68.81 -60.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -38.59 -48.57 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.822 HD13 ' HG3' ' A' ' 35' ' ' ARG . 8.6 tp -65.35 -60.8 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.949 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -42.92 -27.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.82 -33.99 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.2 m -74.58 -44.88 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.593 HD12 HD11 ' A' ' 50' ' ' LEU . 35.7 mt -84.36 -26.77 28.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.22 33.18 6.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.949 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 35.9 mt -108.54 162.64 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 58.8 m -96.54 138.11 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 47' ' ' ARG . 35.8 mt-30 -34.4 -35.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' SER . 30.4 tp -60.58 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.0 mm-40 -39.87 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HD12 ' A' ' 42' ' ' LEU . 48.5 t -46.65 -54.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.82 -48.08 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 64' ' ' TRP . 85.9 m -78.02 -64.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' THR . 36.7 t90 -37.48 -50.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.608 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.2 m-85 -63.76 -72.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' TYR . 8.6 mm-40 -34.53 -54.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.1 -41.02 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' TYR . 13.7 mmm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 p -75.68 158.59 32.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -49.79 -42.64 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.8 -55.3 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.572 ' OE1' HD11 ' A' ' 56' ' ' LEU . 40.7 mm-40 -53.14 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.7 -39.01 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.1 ttp -59.19 -38.38 79.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.97 -42.24 8.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.42 -48.26 82.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.45 -39.97 95.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -61.9 -55.45 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.535 ' HG3' HD13 ' A' ' 50' ' ' LEU . 29.7 mmt180 -54.05 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 2.9 t80 -46.0 -58.07 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.4 -49.87 9.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -62.34 -54.4 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.07 123.43 39.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.59 -20.59 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -147.41 173.13 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.595 HD12 HG11 ' A' ' 61' ' ' VAL . 12.1 mt -134.64 139.48 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -61.51 172.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.26 -59.16 7.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.69 -45.86 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -42.83 -56.31 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -54.58 -37.52 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.03 -57.26 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.93 -51.87 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.535 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.0 tp -60.48 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -41.39 -31.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.08 -38.56 27.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' LEU . 67.3 m -58.11 -49.46 76.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -20.17 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.74 2.72 57.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.572 HD11 ' OE1' ' A' ' 28' ' ' GLN . 38.6 mt -74.18 177.04 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -108.62 155.59 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -51.0 -28.24 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.49 -52.74 42.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -38.98 -60.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.65 HG13 ' CE1' ' A' ' 65' ' ' TYR . 78.8 t -53.12 -56.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -45.88 -65.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.1 m -61.1 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 60.1 t90 -37.84 -44.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.65 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -64.01 -63.47 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' TYR . 4.2 tp60 -36.5 -56.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -51.31 -38.13 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 2.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' GLU . 1.7 t -95.31 155.78 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 2.9 mp0 -34.83 -46.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.79 -68.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 54' ' ' LEU . 3.2 mm100 -49.57 -48.64 48.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.52 -44.79 81.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttp -55.27 -43.27 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.3 34.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.6 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -33.06 72.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -66.78 -52.08 48.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.642 ' HG3' HD13 ' A' ' 50' ' ' LEU . 75.6 mmt-85 -63.76 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -44.05 -52.51 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -49.03 -51.98 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.91 -60.21 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -106.85 105.6 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 28.6 mmtm -49.01 -35.2 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 40' ' ' LYS . 1.4 m-85 -147.63 118.52 7.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.669 HD12 HG11 ' A' ' 61' ' ' VAL . 2.3 mt -76.05 158.25 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -76.91 -176.18 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.11 13.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.102 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.518 ' N ' HG22 ' A' ' 44' ' ' THR . 54.3 Cg_endo -69.72 -42.35 3.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 48.3 t0 -43.52 -59.46 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -44.6 -36.8 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.23 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -40.78 -40.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.6 tp -74.52 -57.23 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.21 -19.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -89.11 -31.75 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 p -67.11 -48.51 67.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 28' ' ' GLN . 17.2 mt -87.97 -26.04 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.55 23.84 20.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.71 HD22 ' OE1' ' A' ' 60' ' ' GLN . 13.8 mt -90.71 179.14 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLN . 23.4 t -103.54 133.2 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' SER . 44.0 mt-30 -34.21 -46.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 60' ' ' GLN . 49.9 tp -50.8 -53.67 30.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.71 ' OE1' HD22 ' A' ' 56' ' ' LEU . 42.7 mt-30 -37.66 -67.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.843 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.9 t -49.43 -40.49 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -60.01 -60.78 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.405 HG22 ' ND2' ' A' ' 67' ' ' ASN . 27.6 m -67.2 -60.65 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CH2' ' HB3' ' A' ' 32' ' ' LEU . 46.2 t90 -37.91 -48.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.843 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.8 m-85 -55.84 -65.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -43.24 -52.72 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.405 ' ND2' HG22 ' A' ' 63' ' ' THR . 93.0 m-20 -56.32 -44.95 80.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 p -94.89 157.68 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.1 -40.53 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.94 -52.6 41.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -55.82 -44.94 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.5 -40.66 93.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.3 ttp -61.72 -38.35 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.78 -51.46 5.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 56' ' ' LEU . 22.3 mt -49.8 -34.42 19.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.86 -30.46 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.88 -32.98 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.793 ' HG3' HD13 ' A' ' 50' ' ' LEU . 11.9 mmt180 -82.2 -42.57 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.9 t80 -63.02 -55.46 25.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 6.7 pt-20 -46.36 -49.68 17.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 28.0 mttm -70.36 -61.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -99.91 94.35 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 41' ' ' TYR . 17.9 mmtm -44.48 -30.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 1.4 m-85 -149.33 113.41 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.828 HD12 HG11 ' A' ' 61' ' ' VAL . 14.3 mt -73.7 121.57 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -49.23 173.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.99 -59.12 7.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.73 -38.08 8.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.05 -48.6 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.59 -42.41 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.49 -62.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -39.71 -43.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.793 HD13 ' HG3' ' A' ' 35' ' ' ARG . 15.8 tp -67.81 -55.49 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.846 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -50.03 -18.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -89.82 -32.31 16.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.9 m -76.63 -43.95 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' CD1' HD11 ' A' ' 50' ' ' LEU . 77.0 mt -83.89 -25.13 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.77 11.56 49.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.846 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 58.2 mt -94.28 176.83 6.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.356 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.745 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 74.4 m -105.93 172.73 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -65.12 -19.08 65.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.7 tp -75.57 -55.63 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.745 ' NE2' ' H ' ' A' ' 57' ' ' SER . 2.3 mp0 -40.4 -62.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.828 HG11 HD12 ' A' ' 42' ' ' LEU . 26.3 t -55.08 -52.38 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.05 -65.63 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.2 m -59.3 -62.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 17.4 t90 -39.66 -49.76 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.704 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.66 -58.23 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -41.57 -48.73 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -67.28 -47.55 70.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.542 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 2.9 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' LEU . 23.1 p -103.73 146.27 28.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' THR . 13.2 mt-10 -34.86 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' THR . 6.2 tt -71.1 -57.99 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' HB3' HD11 ' A' ' 56' ' ' LEU . 93.5 mt-30 -54.6 -46.47 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.14 -42.01 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 ttp -50.84 -39.59 53.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.928 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.44 -46.46 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 56' ' ' LEU . 62.3 mt -55.87 -47.46 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.0 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -57.16 -55.48 34.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -62.19 -54.44 40.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.6 t80 -48.84 -45.06 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.46 -54.2 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -55.54 -58.45 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.3 tt0 -120.11 104.54 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLN . 42.0 mmtt -37.71 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' GLN . 26.5 m-85 -132.43 -176.18 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.686 HD12 HG11 ' A' ' 61' ' ' VAL . 44.6 mt -143.5 140.7 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 14.7 m -68.29 165.44 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -47.94 -59.13 6.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.18 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.69 -21.98 33.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HB2' ' N ' ' A' ' 43' ' ' SER . 2.2 m-20 -65.81 -50.11 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 44.0 ttp180 -62.43 -37.24 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.64 -44.22 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.66 -38.61 89.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.62 -55.11 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -50.42 -30.39 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.43 -31.35 53.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -73.98 -47.98 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.02 -22.99 36.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.39 33.08 14.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 28' ' ' GLN . 85.7 mt -106.35 177.04 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 59' ' ' LEU . 63.0 m -100.49 130.91 46.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' SER . 16.8 mt-30 -36.4 -31.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' SER . 46.0 tp -65.21 -48.6 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 15.2 mm-40 -42.96 -59.26 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.802 HG13 ' CE1' ' A' ' 65' ' ' TYR . 62.6 t -55.34 -50.33 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 4.9 tmtm? -50.84 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.629 HG22 ' OD1' ' A' ' 67' ' ' ASN . 31.5 m -64.06 -60.55 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 74.7 t90 -37.83 -47.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.802 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.2 m-85 -59.06 -56.22 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -49.92 -46.64 52.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.629 ' OD1' HG22 ' A' ' 63' ' ' THR . 29.8 m120 -62.85 -17.32 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.9 mmm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.625 ' CE1' HD11 ' A' ' 32' ' ' LEU . 62.9 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.977 0.418 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 80.8 p -76.37 148.22 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 16.6 mt-10 -37.28 -41.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.64 -51.4 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.545 ' OE1' HD11 ' A' ' 56' ' ' LEU . 32.0 mm-40 -56.29 -48.58 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.67 -42.61 93.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.9 ttp -58.25 -45.25 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.78 -53.31 9.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 ' CE1' ' A' ' 24' ' ' PHE . 16.1 mt -45.48 -49.39 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.3 -40.48 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -51.69 -53.49 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -67.54 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.8 t80 -37.74 -42.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.66 -44.34 86.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 34.9 mttm -63.95 -47.35 80.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 8.5 tt0 -132.97 102.45 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -34.53 -42.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -126.0 158.66 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.565 HD11 ' OH ' ' A' ' 65' ' ' TYR . 77.2 mt -123.6 129.11 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 m -56.88 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.508 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -61.74 -59.09 14.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.81 -35.02 13.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.36 -57.03 14.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.0 ttm105 -52.95 -34.08 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.436 HG12 ' CD ' ' A' ' 58' ' ' GLN . 88.5 mt -70.22 -56.79 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.24 -46.85 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.7 tp -64.02 -59.17 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -43.01 -27.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -82.48 -34.86 27.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -61.6 -46.98 87.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.05 -27.48 17.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.27 37.24 5.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.545 HD11 ' OE1' ' A' ' 28' ' ' GLN . 98.8 mt -103.82 175.14 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' GLN . 14.3 t -95.28 129.74 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' SER . 50.4 mt-30 -34.38 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.77 -51.81 66.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.9 mm-40 -39.05 -63.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.79 HG13 ' CE1' ' A' ' 65' ' ' TYR . 66.2 t -49.77 -48.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -53.53 -63.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.8 m -62.49 -62.97 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 30.5 t90 -37.84 -47.78 1.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.79 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -56.76 -57.47 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -48.2 -57.69 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.08 -41.11 74.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 4.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -100.41 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.45 -35.93 75.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -71.21 -59.01 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.72 -44.31 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.58 -42.35 98.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.4 ttp -52.41 -44.77 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.82 -47.83 13.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.0 mt -51.27 -47.14 62.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.56 -38.57 90.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -64.57 -41.58 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.75 -43.5 58.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.6 t80 -64.78 -43.72 92.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 6.8 pt-20 -66.11 -43.38 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 51.5 mmtt -65.25 -43.43 91.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.97 103.31 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.6 mmtt -35.92 -39.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -127.9 169.38 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.7 HD12 HG11 ' A' ' 61' ' ' VAL . 57.3 mt -131.31 130.34 42.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 m -64.47 176.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.62 -59.04 11.47 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.78 -28.46 25.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -59.61 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -52.7 -44.29 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.33 -57.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -43.41 -50.12 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.96 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -38.58 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.74 -47.09 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -50.62 -51.42 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.13 -21.1 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.44 55.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.526 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 59.5 mt -68.17 175.89 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLN . 4.6 m -109.37 145.43 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' SER . 34.2 mt-30 -36.98 -43.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLN . 11.3 tp -52.76 -56.98 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' LEU . 10.0 mm-40 -35.5 -59.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG11 HD12 ' A' ' 42' ' ' LEU . 85.7 t -55.33 -54.99 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -47.14 -61.93 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' TRP . 34.4 m -63.57 -63.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t90 -37.9 -48.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.633 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -58.99 -65.76 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' TYR . 36.0 tt0 -36.03 -48.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.26 -59.48 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CZ ' ' OE1' ' A' ' 60' ' ' GLN . 63.2 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.0 p -83.62 145.23 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -39.43 -36.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.78 -51.04 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.624 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.9 mt-30 -59.7 -46.62 88.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.29 -41.7 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttp -51.5 -44.06 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.68 -54.2 6.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 56' ' ' LEU . 24.6 mt -49.11 -45.02 42.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -67.97 -40.9 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -59.22 -48.19 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG3' HD13 ' A' ' 50' ' ' LEU . 8.6 mmt180 -66.58 -51.78 52.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.3 t80 -55.95 -55.86 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 4.0 pt-20 -49.46 -31.16 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 62.1 mmtt -82.09 -40.43 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 35' ' ' ARG . 2.3 pt20 -140.27 125.36 18.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -60.38 -14.83 20.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.429 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 46.7 m-85 -149.26 -177.48 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD12 HG11 ' A' ' 61' ' ' VAL . 11.5 mt -151.18 145.13 25.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 m -58.56 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -68.04 -58.45 7.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.682 . . . . 0.0 111.113 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.79 -14.7 36.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 33.4 t0 -69.61 -57.1 5.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NE ' ' HB3' ' A' ' 58' ' ' GLN . 51.8 ttp180 -51.48 -40.68 59.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.43 -55.7 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -48.47 -49.3 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.0 tp -65.36 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -39.56 -30.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -77.14 -42.25 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 50.6 m -59.41 -47.09 86.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.4 -20.53 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.08 10.59 59.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.624 HD21 ' CD ' ' A' ' 28' ' ' GLN . 87.7 mt -88.79 175.28 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLN . 74.2 m -108.49 142.11 39.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' SER . 18.3 mt-30 -34.46 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.4 tp -50.42 -54.06 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.511 ' OE1' ' CZ ' ' A' ' 24' ' ' PHE . 2.6 mm-40 -42.61 -63.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.606 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.5 t -53.88 -55.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' TRP . 32.4 m -62.01 -62.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 62.2 t90 -37.69 -46.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.606 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.6 m-85 -63.26 -61.74 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -47.39 -43.88 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -67.93 -22.62 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -166.79 106.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.82 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -131.87 157.98 42.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 160.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 p -114.7 -52.38 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -165.4 118.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.0 80.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.51 148.76 19.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 143.99 95.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -17.85 37.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 154.85 124.1 0.89 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -126.64 167.12 16.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 152.41 31.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.48 139.19 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -116.55 149.86 38.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -122.89 134.85 54.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.08 46.19 1.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.73 79.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -125.21 124.09 40.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.0 p -89.89 50.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 23' ' ' VAL . 42.4 mtm180 -115.64 -55.65 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -48.05 124.88 8.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ARG . 16.5 m -129.09 135.96 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 96.4 m-85 -113.54 138.61 49.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' GLU . 73.7 p -80.67 145.08 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' THR . 41.8 mm-40 -37.44 -41.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.43 -54.83 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.08 -52.7 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -54.15 -48.37 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttp -48.63 -46.79 40.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.89 62.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 37.0 mt -57.15 -42.57 81.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.91 -38.23 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.1 -51.63 67.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG3' HD13 ' A' ' 50' ' ' LEU . 23.4 mmt-85 -61.27 -65.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.58 -57.11 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -46.11 -54.48 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.77 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -129.22 98.76 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.61 121.17 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.814 HD12 HG11 ' A' ' 61' ' ' VAL . 24.7 mt -80.43 171.76 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 m -92.87 174.41 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.89 -59.13 11.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.118 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.77 -44.25 2.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -62.31 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.7 ttm105 -42.4 -36.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.43 -54.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -46.75 -42.12 16.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.721 HD11 HD12 ' A' ' 54' ' ' LEU . 11.1 tp -65.79 -57.25 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -47.71 -24.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.64 -31.47 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -44.59 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.721 HD12 HD11 ' A' ' 50' ' ' LEU . 50.1 mt -88.67 -23.06 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.35 19.77 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.639 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 95.2 mt -93.24 175.5 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' GLN . 33.0 m -100.4 133.57 44.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' SER . 44.3 mt-30 -35.36 -43.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.33 -45.7 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.485 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 15.9 mm-40 -44.31 -64.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.814 HG11 HD12 ' A' ' 42' ' ' LEU . 21.5 t -49.33 -53.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -49.98 -61.85 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -61.54 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.4 t90 -37.98 -46.13 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.744 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.1 m-85 -57.67 -69.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' TYR . 29.9 mt-30 -36.0 -52.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -55.42 -45.02 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' TYR . 24.1 mmt180 -60.81 -47.8 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' MET . 80.9 mtp180 -41.32 -54.01 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' ARG . 7.5 mmt -36.2 -62.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -59.77 -44.7 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.14 -43.68 52.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -61.99 175.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -152.44 125.68 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 m -120.42 120.11 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -127.78 81.13 0.35 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.96 3.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 t -174.96 107.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.1 t -96.34 113.74 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 71.97 42.23 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -119.56 170.1 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.31 -170.64 39.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -169.96 177.86 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -170.85 163.46 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.27 139.72 0.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.0 -46.62 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.69 144.05 0.64 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -172.54 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.742 2.295 . . . . 0.0 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 12' ' ' THR . . . -98.16 39.97 2.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 12' ' ' THR . 14.5 m 36.01 44.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -84.76 154.03 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.54 168.71 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.23 143.85 27.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -128.86 -31.79 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -111.34 162.28 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -149.76 136.24 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -145.42 112.87 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -78.19 86.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -148.73 152.92 37.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.89 36.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE1' HD22 ' A' ' 56' ' ' LEU . 25.8 m-85 -101.02 131.34 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' GLU . 6.9 p -83.52 154.96 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' THR . 35.0 mt-10 -37.19 -48.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.76 -58.33 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.39 -51.35 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -39.48 76.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ttp -55.77 -45.11 78.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.27 -35.75 52.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 15.4 mt -61.68 -43.62 98.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -71.62 -34.17 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -62.71 -53.89 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 50' ' ' LEU . 9.1 mmt180 -64.77 -44.53 89.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -62.25 -41.39 98.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.52 -54.77 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.72 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' TYR . 29.8 tt0 -133.99 91.31 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.484 ' HE3' ' CE2' ' A' ' 72' ' ' TRP . 17.3 mmtm -37.33 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' GLN . 1.7 m-85 -124.04 -179.68 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.897 HD12 HG11 ' A' ' 61' ' ' VAL . 88.4 mt -147.7 132.52 18.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -64.66 171.86 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -55.67 -59.13 12.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.619 0.723 . . . . 0.0 111.148 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.52 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.75 -18.06 37.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -73.76 -65.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -43.95 -35.76 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.41 -56.18 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -47.05 -49.75 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 54' ' ' LEU . 14.7 tp -60.78 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -41.14 -27.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' LEU . 6.9 mt-10 -83.39 -42.09 17.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 30.6 m -57.75 -53.46 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 50' ' ' LEU . 35.2 mt -81.39 -24.51 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.09 3.68 56.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 10.8 mt -75.86 170.72 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLN . 3.8 m -102.93 141.47 35.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' SER . 54.0 mt-30 -36.4 -42.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.97 -45.71 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' SER . 5.3 mm-40 -46.33 -64.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.899 HG13 ' CE1' ' A' ' 65' ' ' TYR . 46.4 t -52.79 -54.32 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -47.12 -63.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.0 m -62.64 -63.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 31.7 t90 -37.86 -47.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.899 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.6 m-85 -60.89 -64.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' TYR . 54.3 mt-30 -34.78 -57.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -57.82 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -50.13 -33.14 17.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.49 -42.72 74.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.0 mtm -62.91 -37.42 86.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -82.5 -22.4 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.484 ' CE2' ' HE3' ' A' ' 40' ' ' LYS . 11.5 t90 -83.89 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 41.1 mmtt -71.91 102.03 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' LYS . 18.2 mmtm 34.32 45.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.7 t -152.6 -177.97 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.84 -81.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 165.51 30.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -98.94 -57.05 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 p -85.46 134.95 34.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -159.85 177.6 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -146.03 176.8 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.31 -173.01 31.51 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -160.14 172.96 16.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -168.27 177.4 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.58 -156.42 7.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.63 176.65 39.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -173.36 147.08 1.39 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.74 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.0 -164.01 37.4 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -153.9 136.27 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -170.71 123.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.96 21.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -74.46 108.31 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -96.28 145.4 25.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.92 84.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -130.04 109.51 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -128.33 42.7 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.3 p -121.73 129.85 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -127.91 103.55 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.0 p -113.61 126.61 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.66 38.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CE1' ' OE1' ' A' ' 60' ' ' GLN . 89.5 m-85 -109.15 137.76 46.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 4.1 p -85.6 151.99 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 40.1 mt-10 -37.42 -38.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.27 -66.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.613 ' HB3' HD11 ' A' ' 56' ' ' LEU . 84.5 mt-30 -47.12 -38.28 11.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.8 -40.5 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 ttp -62.78 -37.53 87.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.22 -39.73 11.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.9 -45.92 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.56 -42.39 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -53.6 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.63 -63.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.1 t80 -39.46 -41.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.24 -54.56 19.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -54.32 -43.84 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.2 tt0 -133.23 101.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLN . 45.7 mmtt -36.87 -35.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 3.6 m-85 -128.34 -177.07 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.737 HD12 HG11 ' A' ' 61' ' ' VAL . 82.2 mt -143.58 137.57 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -68.48 176.78 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.63 -59.18 11.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.688 . . . . 0.0 111.126 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.2 Cg_endo -69.68 -40.56 5.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.91 -56.74 13.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -49.74 -40.45 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.79 -62.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -38.45 -49.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 tp -62.09 -58.72 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -44.94 -30.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.24 -34.13 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.2 t -69.84 -42.21 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 28' ' ' GLN . 86.4 mt -90.09 -28.11 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.66 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.778 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 53.0 mt -97.48 167.95 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.1 m -93.55 139.04 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' SER . 45.7 mt-30 -36.79 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.4 tp -64.75 -55.48 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.506 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 8.1 mm-40 -37.87 -58.64 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.852 HG13 ' CE1' ' A' ' 65' ' ' TYR . 87.5 t -57.19 -56.32 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -45.87 -62.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' TRP . 26.6 m -65.39 -62.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 76.4 t90 -37.85 -44.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.852 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.4 m-85 -61.81 -58.52 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -48.89 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.05 -18.74 48.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 33.7 mmt180 -92.04 -48.25 6.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 7.3 mtp-105 -51.99 -43.53 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 25.8 ptm -48.95 -53.0 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 70' ' ' MET . 36.0 mtpt -68.43 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -67.28 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -51.76 -45.94 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.64 142.26 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.2 p -81.58 -53.4 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 84.02 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -22.76 31.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.305 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -48.11 -47.15 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -143.67 156.47 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -154.07 138.85 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -174.49 163.68 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.46 138.15 20.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -80.71 136.64 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.88 -173.92 47.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 157.98 135.1 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 7.7 mp0 -36.89 151.29 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.728 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -22.55 31.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.23 . . . . 0.0 112.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.48 -57.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -147.62 157.33 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -74.44 84.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.41 46.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.29 136.57 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -99.11 142.87 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.22 152.33 19.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -99.77 135.72 40.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -83.74 140.69 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.4 p -82.34 156.96 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttp85 -90.02 -52.3 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' THR . 9.9 t -150.11 124.33 9.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.96 141.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -76.29 132.45 39.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 p -78.43 163.0 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.88 -44.27 14.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.79 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -47.5 -47.56 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 mt -63.31 -47.15 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.0 ttp -46.73 -41.44 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.94 -39.72 16.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 47.5 mt -59.69 -41.5 90.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -67.78 -41.09 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -62.84 -59.44 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.855 ' HG3' HD13 ' A' ' 50' ' ' LEU . 14.9 mmm180 -56.49 -46.35 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -61.51 -47.84 83.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.1 -54.77 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -55.78 -52.71 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.6 tt0 -122.0 95.6 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 16.6 mmmt -34.34 -40.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.16 125.06 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.81 HD12 HG11 ' A' ' 61' ' ' VAL . 4.8 mt -83.09 148.49 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.1 -176.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.13 13.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.76 -47.39 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -57.28 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -49.73 -46.63 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.89 -61.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -38.23 -48.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.855 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.3 tp -61.3 -65.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.789 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -36.43 -35.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -77.29 -42.99 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' LEU . 47.8 t -59.35 -44.6 92.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 50' ' ' LEU . 95.9 mt -87.63 -25.95 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.25 -5.54 38.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.789 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 23.9 mt -77.55 174.84 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -107.4 156.12 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -47.7 -30.12 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' GLN . 59.6 tp -63.68 -61.49 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.9 mm100 -34.69 -59.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG11 HD12 ' A' ' 42' ' ' LEU . 48.3 t -52.14 -55.94 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -64.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -60.51 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 38.6 t90 -38.1 -44.95 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.703 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -62.42 -62.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -44.45 -52.49 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -58.26 -51.83 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -48.77 -49.14 39.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' LYS . 27.0 mtm180 -43.03 -55.24 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 69' ' ' ARG . 86.4 mtp -35.72 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' ARG . 13.0 ttmm -86.19 -45.77 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.455 ' CE3' ' N ' ' A' ' 73' ' ' LYS . 3.4 t90 -59.78 -53.28 59.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' N ' ' CE3' ' A' ' 72' ' ' TRP . 11.2 pttm -43.7 144.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -124.68 -56.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 p -86.07 158.71 19.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.09 84.4 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -40.6 5.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -54.1 -43.75 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.5 p -147.45 144.46 28.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -162.58 155.66 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -166.52 169.69 13.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -135.56 -88.06 0.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 23.4 m 37.66 52.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -75.78 -178.5 4.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.46 157.64 27.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.56 79.86 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -107.57 81.66 1.15 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.661 0.744 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -172.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.23 58.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.5 p -137.22 171.21 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.183 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.49 40.1 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.68 102.65 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.072 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.2 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLY . 25.7 ttmt -112.63 -57.53 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . . . 34.41 -112.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -109.67 148.04 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 38.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.7 m -113.92 45.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -95.39 -57.25 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -64.14 125.58 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.93 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.63 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 68.6 m-85 -76.62 151.4 36.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 69.8 p -103.66 148.17 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 43.4 mt-10 -36.06 -41.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.3 tt -67.08 -58.56 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -50.28 -44.94 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.95 -47.04 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttp -52.96 -42.66 65.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.58 -55.73 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -44.45 -47.29 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.7 -41.79 87.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -52.71 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -67.19 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 4.2 t80 -37.56 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -62.97 -49.45 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -61.03 -50.15 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.6 tt0 -126.61 98.76 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 22.9 mmtt -36.2 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' GLN . 29.0 m-85 -132.31 -178.51 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 HG11 ' A' ' 61' ' ' VAL . 47.9 mt -145.14 142.25 29.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -69.15 -175.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -63.21 -59.17 12.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.189 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HA ' HD12 ' A' ' 48' ' ' ILE . 53.7 Cg_endo -69.76 -43.88 2.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -60.16 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -46.73 -41.85 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 45' ' ' PRO . 52.9 mt -62.97 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.5 tp -64.02 -60.92 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.2 -29.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -78.11 -35.29 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.1 t -68.45 -42.56 78.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -25.95 21.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 31.67 11.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -103.35 176.31 5.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.0 m -99.62 136.64 39.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.459 ' NE2' HG12 ' A' ' 48' ' ' ILE . 80.3 mt-30 -37.7 -42.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.93 -43.6 81.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.63 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 14.6 mm100 -45.07 -58.9 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.904 HG13 ' CE1' ' A' ' 65' ' ' TYR . 99.3 t -55.3 -54.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -46.23 -65.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.7 m -63.81 -61.31 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 71.1 t90 -37.94 -47.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.904 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.4 m-85 -59.54 -55.71 31.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.37 -51.99 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' C ' ' HG2' ' A' ' 70' ' ' MET . 11.0 m120 -56.68 -20.79 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 6.2 mmp_? -91.67 -41.66 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' NE ' ' CE2' ' A' ' 41' ' ' TYR . 16.2 mtt85 -62.06 -32.59 73.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.432 ' HG2' ' C ' ' A' ' 67' ' ' ASN . 9.8 ptm -59.99 -45.35 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -78.16 -27.48 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.44 ' CE3' ' HG3' ' A' ' 73' ' ' LYS . 7.5 t90 -72.06 -42.84 65.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HG3' ' CE3' ' A' ' 72' ' ' TRP . 46.6 mttt -57.78 -41.77 82.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -100.79 90.96 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -85.49 86.42 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.95 155.89 41.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -27.56 26.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 m -85.82 142.51 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 m -114.73 147.6 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -172.82 175.97 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.828 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -163.23 173.2 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.7 -175.54 25.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -160.79 160.8 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 p -128.12 172.56 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 -157.99 7.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.29 -171.3 16.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -160.18 159.45 26.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -175.0 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.319 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.23 -155.75 6.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -130.03 150.32 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -143.64 118.65 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.948 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.58 140.57 25.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -65.37 166.37 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -44.95 130.8 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.69 81.16 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -126.45 5.8 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 19' ' ' ARG . 4.0 ptm85 -115.41 153.69 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 t -86.61 131.35 34.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -124.49 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -94.69 122.55 37.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.38 143.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.69 ' CE2' ' NE2' ' A' ' 60' ' ' GLN . 29.9 m-85 -86.93 140.45 29.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -89.32 168.7 12.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.31 -35.63 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 tp -70.53 -59.26 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -54.29 -46.38 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.75 -48.62 80.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.9 ttp -46.11 -42.48 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.27 -49.42 6.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 19.0 mt -53.98 -33.01 55.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -76.33 -37.13 57.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -65.97 -37.31 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -76.89 -48.92 16.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -59.37 -42.9 92.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.76 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -75.46 -55.4 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.9 tt0 -124.39 108.87 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.5 mmtm -36.58 -41.17 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -134.44 142.66 47.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD12 HG11 ' A' ' 61' ' ' VAL . 30.7 mt -97.23 125.53 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -53.3 161.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -39.52 -59.2 1.69 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.625 0.726 . . . . 0.0 111.166 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.78 -44.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.35 -60.71 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -47.4 -38.61 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 45' ' ' PRO . 68.6 mt -66.58 -57.77 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -44.31 -41.39 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' SER . 12.6 tp -68.14 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.65 -27.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.42 -40.48 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m -57.88 -49.56 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.56 -28.33 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.39 29.06 9.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.502 HD22 ' NE2' ' A' ' 60' ' ' GLN . 48.3 mt -93.93 -178.58 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' LEU . 26.9 t -103.95 136.06 44.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -38.32 -29.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' SER . 26.7 tp -67.3 -50.54 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.69 ' NE2' ' CE2' ' A' ' 24' ' ' PHE . 8.7 mt-30 -39.6 -61.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.972 HG11 HD12 ' A' ' 42' ' ' LEU . 24.2 t -55.82 -51.83 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -50.34 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.442 HG22 ' OD1' ' A' ' 67' ' ' ASN . 31.6 m -61.92 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 32.3 t90 -38.11 -47.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.63 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.53 -69.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -40.51 -46.66 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.442 ' OD1' HG22 ' A' ' 63' ' ' THR . 13.6 m120 -63.22 -34.9 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' TYR . 19.9 mmt180 -72.36 -33.74 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -62.0 -30.4 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -59.49 -37.4 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -87.71 -49.31 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -49.6 -40.59 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -64.14 138.65 58.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -66.73 95.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -152.55 168.33 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.53 158.83 28.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.35 26.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -56.73 -56.0 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -55.25 126.17 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -168.06 169.18 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -162.48 159.14 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.05 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -42.01 -50.07 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -108.55 140.25 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.14 84.88 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.75 -171.61 40.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.94 148.16 24.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.54 10.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.45 56.05 0.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -103.52 126.46 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.157 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.78 111.51 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.18 97.99 6.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.83 157.73 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -98.8 -61.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.02 80.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.5 163.84 21.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.14 166.56 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.7 m -91.09 113.99 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.25 -57.94 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 t -82.09 140.8 33.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.62 163.75 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -91.74 135.0 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLU . 46.5 p -77.48 146.53 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' THR . 18.9 mt-10 -37.87 -44.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.65 -53.3 53.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.73 ' CD ' HD21 ' A' ' 56' ' ' LEU . 31.4 mm-40 -55.76 -45.06 78.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttp -57.64 -37.85 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.18 -50.4 5.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.1 mt -54.07 -38.09 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -73.33 -35.85 66.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -34.36 77.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 50' ' ' LEU . 14.6 mmt180 -79.46 -44.44 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 4.2 t80 -64.72 -50.93 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.0 pt-20 -53.81 -47.17 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 17.9 mtpp -64.16 -56.68 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -121.95 110.63 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -41.96 -42.65 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -126.98 157.7 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.839 HD12 HG11 ' A' ' 61' ' ' VAL . 60.0 mt -114.84 146.95 40.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -72.69 157.5 37.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -41.88 -59.1 2.75 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.549 0.69 . . . . 0.0 111.128 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 44' ' ' THR . 53.8 Cg_endo -69.8 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.7 m-20 -52.5 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 18.5 ttp-105 -38.1 -36.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.07 -54.33 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -44.68 -46.51 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 ' HG3' ' A' ' 35' ' ' ARG . 9.9 tp -65.1 -57.73 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -46.5 -25.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.01 -29.97 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.2 t -68.64 -44.85 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.79 -28.45 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.52 30.17 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.73 HD21 ' CD ' ' A' ' 28' ' ' GLN . 14.9 mt -96.55 170.59 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.4 m -97.58 131.78 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' SER . 42.0 mt-30 -34.24 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' SER . 33.9 tp -61.22 -51.9 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 16.3 mm-40 -41.24 -59.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.839 HG11 HD12 ' A' ' 42' ' ' LEU . 27.1 t -57.21 -56.23 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -46.55 -62.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -64.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 76.6 t90 -37.81 -48.05 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.762 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.1 m-85 -58.34 -62.26 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -45.03 -56.13 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -52.04 -44.44 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.556 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 16.1 mmm180 -59.06 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 13.0 mtp-105 -47.58 -37.83 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.4 mtt -54.5 -58.91 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -66.52 -41.47 88.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -53.28 -42.02 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -42.72 121.43 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.11 104.78 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -111.98 85.03 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.51 -83.06 1.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 p 47.53 43.98 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.0 t -98.03 122.07 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -72.48 -59.97 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 54.3 43.95 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.07 -43.26 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -49.97 145.4 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -169.33 168.75 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 175.09 45.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.36 61.21 0.36 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -64.11 143.65 98.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 176.02 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.09 137.47 25.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.75 -48.6 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -111.29 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 92.12 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 11.2 ptpp? -125.68 -45.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 35.5 tptt -168.61 121.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.75 89.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -113.37 117.93 33.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 10.1 ptp180 -129.74 88.47 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -129.54 91.05 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 84.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -93.51 146.45 23.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 23' ' ' VAL . 8.8 t -115.93 34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -116.5 140.77 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.9 p -85.41 160.11 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -48.24 -41.65 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.68 -56.69 9.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.435 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.0 mt-30 -52.22 -49.66 63.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.78 -49.47 76.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.7 ttp -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.62 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -66.9 -48.11 62.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 49.2 mt -57.86 -41.5 82.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -68.53 -46.22 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -57.05 -43.37 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.598 ' HG3' HD13 ' A' ' 50' ' ' LEU . 27.6 mmt-85 -73.46 -46.92 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 36' ' ' PHE . 4.2 t80 -60.26 -27.28 67.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -73.31 -53.58 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -65.7 -49.31 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.474 ' N ' ' HG3' ' A' ' 38' ' ' LYS . 10.8 tt0 -117.8 103.82 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -47.91 -42.1 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.8 117.99 15.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.718 HD12 HG11 ' A' ' 61' ' ' VAL . 15.1 mt -76.76 144.3 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 m -66.83 -177.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -59.28 -59.13 14.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.573 0.701 . . . . 0.0 111.179 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' N ' HG22 ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.8 -44.38 2.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -45.41 -63.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 59.4 ttp180 -42.36 -42.98 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 45' ' ' PRO . 64.9 mt -61.34 -62.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.61 -43.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 35' ' ' ARG . 12.5 tp -67.67 -65.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -38.27 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' LEU . 29.3 mm-40 -81.21 -42.43 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' LEU . 73.8 m -55.92 -50.37 70.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.62 HD11 ' HA3' ' A' ' 31' ' ' GLY . 96.1 mt -83.48 -24.22 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.0 -3.83 48.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.559 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 62.7 mt -74.88 175.92 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.3 m -105.21 165.55 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -54.65 -36.56 64.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 60' ' ' GLN . 28.2 tp -56.95 -60.48 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.7 mm-40 -34.44 -64.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 42' ' ' LEU . 81.6 t -53.59 -56.6 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 40.2 tttt -46.96 -64.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -60.94 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 26.7 t90 -37.86 -48.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.615 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.1 m-85 -58.03 -57.08 14.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.13 -57.0 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -54.96 -19.6 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 22.5 mmm180 -94.14 -27.7 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -78.73 -22.99 45.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 5.7 ptt? -71.48 -45.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 70' ' ' MET . 56.7 tttt -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -75.33 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -58.04 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -106.54 125.57 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -152.82 116.47 4.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.47 146.5 4.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.15 15.52 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.335 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 t -61.99 118.11 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 80' ' ' GLY . 42.3 p -166.9 134.98 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 p -174.1 177.72 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -137.92 172.15 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 174.03 46.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -135.69 178.44 7.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -169.67 172.44 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.14 -142.01 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.6 -178.07 28.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.19 144.06 3.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.76 13.89 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.28 -148.77 7.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.6 m -132.31 116.98 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 84.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -52.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tttp 40.36 40.38 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -128.29 76.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.8 139.41 5.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' NE ' ' HD2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -105.71 -46.25 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HD2' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -115.37 -60.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -174.76 125.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.44 -43.66 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.71 147.55 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 23' ' ' VAL . 11.6 t -124.43 37.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 59.5 m-85 -105.18 133.39 50.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 p -82.71 164.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -49.71 -41.55 43.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.52 -55.9 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.831 ' HB3' HD21 ' A' ' 56' ' ' LEU . 6.5 mm100 -55.3 -53.82 51.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.65 -39.82 85.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.8 ttp -48.89 -41.01 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.24 -48.8 5.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 56' ' ' LEU . 43.5 mt -48.38 -44.1 34.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.64 -41.98 83.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -61.01 -57.91 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' PHE . 42.2 mmt-85 -59.42 -65.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -37.07 -56.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.66 -54.64 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.15 -34.19 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -143.45 116.6 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -54.14 -15.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 3.4 m-85 -150.97 -176.1 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.76 HD12 HG11 ' A' ' 61' ' ' VAL . 8.3 mt -149.36 137.79 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -58.37 174.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.92 -59.16 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.8 -39.94 5.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -59.26 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.3 ttm105 -52.56 -31.25 35.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 45' ' ' PRO . 79.9 mt -72.44 -47.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.74 -45.1 78.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.93 -57.0 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.21 -34.6 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -65.85 -50.0 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 28' ' ' GLN . 33.1 mt -83.77 -29.03 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 11.62 41.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 28' ' ' GLN . 14.6 mt -81.09 -177.91 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.5 t -109.42 136.64 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' SER . 65.0 mt-30 -34.36 -46.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.48 -45.88 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.497 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.2 mm-40 -44.77 -67.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.798 HG13 ' CE1' ' A' ' 65' ' ' TYR . 60.5 t -48.71 -50.27 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -50.63 -62.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.2 m -63.25 -63.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 65.8 t90 -37.72 -44.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.798 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -62.34 -65.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -38.38 -53.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.89 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 3.9 mmp_? -48.71 -47.43 41.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -50.65 -46.48 58.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.5 mmt -49.05 -51.11 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.12 -38.4 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -59.57 -27.06 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -83.79 179.11 7.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.28 147.92 46.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.479 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 70.5 m -98.4 -58.66 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -95.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.36 4.32 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -38.59 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 m -113.3 -58.91 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -161.06 176.99 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t 69.12 42.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 135.96 8.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -173.94 169.57 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -170.71 171.91 6.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.06 -171.16 32.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.48 82.29 0.34 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -112.56 147.52 37.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 174.2 9.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.51 83.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.4 p -111.86 100.41 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -164.67 152.48 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.61 167.72 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -171.54 153.96 3.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -115.55 -56.54 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.92 -149.51 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -86.51 132.17 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -149.79 121.46 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -128.24 82.19 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -48.26 -19.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 21' ' ' ARG . 29.7 p -111.66 168.8 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 23' ' ' VAL . 22.5 t -114.96 36.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -83.23 141.71 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -95.89 148.83 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.41 -37.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.08 -48.03 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' CD ' HD21 ' A' ' 56' ' ' LEU . 93.5 mt-30 -61.94 -47.93 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.58 -45.2 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.16 -42.99 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.91 -54.65 5.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.879 HD11 ' CD1' ' A' ' 56' ' ' LEU . 15.9 mt -46.57 -42.28 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.02 -50.14 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -48.72 -50.13 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.51 ' HG2' HD13 ' A' ' 50' ' ' LEU . 8.0 mpt_? -68.35 -62.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.0 t80 -41.4 -39.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.29 -46.53 73.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -42.03 97.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.95 92.02 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 26.4 mmtm -33.9 -40.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -123.66 159.44 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 61' ' ' VAL . 73.5 mt -124.56 158.81 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t -82.97 165.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.99 -59.03 8.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.515 ' N ' HG22 ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -57.68 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -43.93 -41.06 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 45' ' ' PRO . 55.7 mt -64.25 -55.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.53 -50.51 23.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' ' 35' ' ' ARG . 14.1 tp -61.06 -57.69 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -44.7 -32.86 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.45 -34.7 60.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -66.27 -45.37 80.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.59 -27.27 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.11 29.47 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.879 ' CD1' HD11 ' A' ' 32' ' ' LEU . 89.8 mt -102.94 174.72 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.1 m -97.7 142.15 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.9 -40.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -43.27 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -47.6 -63.03 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.681 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.7 t -53.9 -40.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -59.16 -62.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' TRP . 54.7 m -66.94 -58.98 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.579 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 22.2 t90 -37.87 -48.99 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -58.69 -65.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' TYR . 33.8 tt0 -36.99 -42.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -70.82 -51.57 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 1.4 mmp_? -46.68 -50.88 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -46.15 -44.91 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.3 mtt -50.73 -42.08 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -48.4 23.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -52.61 -44.23 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -43.76 140.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.5 OUTLIER -54.68 158.28 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' LYS . 4.1 t 36.07 41.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.53 -171.46 48.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.01 39.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t -71.88 125.75 27.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -151.48 148.48 28.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.803 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 69.72 43.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -83.0 171.35 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 -152.29 7.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -170.54 159.5 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -128.03 177.8 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.81 175.61 42.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 -129.61 1.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 8.5 mp0 49.11 54.39 16.05 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 53.5 Cg_endo -69.76 -168.4 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.89 169.11 54.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -162.61 131.8 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -94.51 145.44 24.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.95 123.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 114.31 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -149.86 143.91 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.82 42.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -126.94 135.6 51.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -137.41 163.36 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -94.8 147.7 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -59.59 95.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p -143.5 128.2 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -123.6 134.99 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 52.5 m-85 -106.84 165.35 11.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -100.73 155.18 18.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -45.51 -42.29 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.31 -54.52 23.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.492 ' HB3' HD11 ' A' ' 56' ' ' LEU . 65.9 mt-30 -53.47 -48.38 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.01 -46.67 89.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.98 -44.85 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -46.89 20.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 26.0 mt -51.42 -49.66 61.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.15 -42.96 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -48.89 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG3' HD13 ' A' ' 50' ' ' LEU . 10.6 mmt180 -70.62 -65.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.9 t80 -37.32 -49.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -65.25 -58.99 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -110.49 93.66 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -39.69 -37.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -138.37 116.32 11.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.589 HD12 HG11 ' A' ' 61' ' ' VAL . 13.5 mt -74.28 178.17 5.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -102.3 169.86 8.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.57 -59.15 7.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.154 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.79 -46.09 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.31 -55.78 14.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -44.05 -38.32 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.83 -59.2 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.66 -50.36 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' SER . 15.2 tp -63.1 -60.41 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -76.81 -35.74 57.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 45.7 m -63.23 -46.51 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 28' ' ' GLN . 20.7 mt -88.19 -25.26 23.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 33.91 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 28' ' ' GLN . 73.7 mt -100.66 177.68 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.2 m -99.88 130.67 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' SER . 40.0 mt-30 -34.29 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.9 tp -62.56 -49.26 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.599 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.6 mm-40 -41.27 -56.56 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.607 HG13 ' CE1' ' A' ' 65' ' ' TYR . 71.6 t -54.58 -58.46 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -46.83 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.5 m -62.06 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.7 t90 -37.87 -45.05 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.607 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.0 m-85 -60.66 -59.2 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -40.72 -60.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -57.0 -49.05 76.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -47.76 -46.5 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -48.72 -55.4 11.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.3 mmm -42.12 -60.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -46.74 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -51.53 -46.96 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -47.52 126.16 9.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -85.62 109.38 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p -55.57 -52.82 62.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.32 71.76 0.54 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 91.03 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 t -119.19 160.84 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.3 p -88.25 142.34 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 10.7 p -103.74 -33.82 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.3 p 37.25 42.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.04 -152.85 16.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m 53.53 46.8 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -152.19 113.87 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 -109.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.4 143.38 11.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.7 tt0 -146.04 140.16 15.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.663 0.744 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.8 -171.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.91 140.11 2.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -80.53 168.16 19.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.31 157.55 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.98 144.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -101.9 85.41 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 85.74 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 41.39 77.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 29.1 mtm105 -46.4 117.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -122.84 49.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m 55.33 43.17 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -15.92 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -82.83 128.03 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.1 t -142.91 127.62 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -78.43 165.43 23.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' GLU . 60.3 p -103.75 143.01 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' THR . 47.3 mt-10 -35.94 -43.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.11 -59.42 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.606 ' HB3' HD11 ' A' ' 56' ' ' LEU . 88.5 mt-30 -51.41 -46.02 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.7 -44.11 97.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.6 ttp -53.04 -44.6 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.18 -43.72 46.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 35.2 mt -54.2 -46.33 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.63 -40.39 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -49.85 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.645 ' HG3' HD22 ' A' ' 50' ' ' LEU . 16.2 mmt180 -64.53 -50.64 66.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -59.29 -44.97 92.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.48 -54.74 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.74 -57.67 8.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' HG2' ' C ' ' A' ' 41' ' ' TYR . 30.3 tt0 -110.25 95.92 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -43.07 -35.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.438 ' C ' ' HG2' ' A' ' 39' ' ' GLN . 2.5 m-85 -137.11 110.09 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 61' ' ' VAL . 36.3 mt -71.39 147.82 47.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -74.44 174.84 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -56.68 -59.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.78 -32.9 17.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.14 -59.07 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.3 ttm105 -44.82 -37.16 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.88 -58.98 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 35' ' ' ARG . 14.2 tp -58.74 -61.41 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -41.52 -31.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.25 -40.79 58.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' LEU . 33.1 t -61.28 -45.26 95.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 28' ' ' GLN . 47.7 mt -89.67 -25.31 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.49 31.81 11.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 28' ' ' GLN . 78.3 mt -100.39 -179.85 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' GLN . 18.4 m -104.67 133.31 49.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' SER . 36.2 mt-30 -36.01 -39.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.74 -46.84 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' SER . 15.2 mm-40 -45.72 -68.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 42' ' ' LEU . 6.7 t -45.22 -48.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -53.5 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' TRP . 89.6 m -63.68 -62.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 20.8 t90 -37.81 -44.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.7 m-85 -61.82 -57.63 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.03 -56.13 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -52.88 -45.07 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -58.07 -47.35 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 13.3 mtp-105 -45.8 -49.02 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 29.8 mtt -45.0 -48.74 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.84 -44.12 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -50.45 -48.4 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -66.36 105.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -88.24 37.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 87.26 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.38 -158.17 8.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 170.15 17.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -53.24 162.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' GLY . 13.8 t -106.51 146.09 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -99.6 121.14 40.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -66.53 -54.67 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.53 -171.84 22.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -156.33 162.27 40.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -171.1 169.34 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.81 177.18 19.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.95 166.15 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.06 145.13 40.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.97 15.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.41 127.99 1.24 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -45.69 153.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -105.69 -51.72 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.69 151.93 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -85.2 121.24 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -46.22 -45.56 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.13 137.72 4.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -104.71 142.64 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -52.72 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -72.04 121.1 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -72.32 90.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 22' ' ' THR . 8.8 t -74.22 92.3 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 m -93.14 74.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 32' ' ' LEU . 2.4 m-85 -119.77 133.49 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 28' ' ' GLN . 9.3 t -77.39 152.24 34.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -41.06 -33.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.92 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.646 ' H ' HG23 ' A' ' 25' ' ' THR . 20.8 mt-30 -49.69 -33.16 15.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 24' ' ' PHE . 21.1 mt -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ttp -58.8 -40.64 84.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.68 -50.46 30.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 24' ' ' PHE . 12.7 mt -42.88 -45.8 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.73 -47.77 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -56.01 -62.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.822 ' HG3' HD13 ' A' ' 50' ' ' LEU . 10.5 mmp_? -50.37 -56.81 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -52.73 -41.1 63.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.75 -47.69 83.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -60.59 -52.32 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' TYR . 3.6 tt0 -126.1 102.23 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -37.56 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -153.46 114.79 4.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 HG11 ' A' ' 61' ' ' VAL . 2.9 mt -70.69 157.71 37.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -77.52 176.29 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.2 -59.03 9.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.543 0.687 . . . . 0.0 111.135 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.78 -45.17 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -56.24 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 58' ' ' GLN . 37.0 ttp180 -46.96 -36.78 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 45' ' ' PRO . 73.1 mt -68.81 -60.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -38.59 -48.57 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.822 HD13 ' HG3' ' A' ' 35' ' ' ARG . 8.6 tp -65.35 -60.8 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.949 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -42.92 -27.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.82 -33.99 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.2 m -74.58 -44.88 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.593 HD12 HD11 ' A' ' 50' ' ' LEU . 35.7 mt -84.36 -26.77 28.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.22 33.18 6.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.949 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 35.9 mt -108.54 162.64 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 58.8 m -96.54 138.11 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 47' ' ' ARG . 35.8 mt-30 -34.4 -35.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' SER . 30.4 tp -60.58 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.0 mm-40 -39.87 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HD12 ' A' ' 42' ' ' LEU . 48.5 t -46.65 -54.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.82 -48.08 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 64' ' ' TRP . 85.9 m -78.02 -64.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' THR . 36.7 t90 -37.48 -50.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.608 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.2 m-85 -63.76 -72.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' TYR . 8.6 mm-40 -34.53 -54.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.1 -41.02 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' TYR . 13.7 mmm180 -62.45 -57.35 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -40.12 -53.44 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.0 mtt -39.98 -53.05 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -70.44 -44.13 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -49.36 -45.21 45.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -83.3 106.83 15.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -79.59 103.21 9.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.1 p -88.86 136.05 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -109.24 -76.41 0.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 143.71 51.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.305 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 m -150.33 133.25 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -144.07 167.44 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -108.15 140.32 41.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -93.56 -61.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.05 128.48 6.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.1 t -98.87 92.66 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.6 m 34.44 45.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.23 118.82 3.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.64 -168.87 41.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.62 148.74 15.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.9 4.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.49 123.95 1.91 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -84.15 -179.16 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -170.37 159.67 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.31 135.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.85 25.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -66.45 173.28 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.93 114.34 2.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.7 68.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -121.15 140.81 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -96.35 110.31 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -107.2 -54.93 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.65 132.82 41.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 24' ' ' PHE . 7.4 p -105.55 164.94 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' N ' HG22 ' A' ' 23' ' ' VAL . 86.1 m-85 -87.47 146.49 25.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 p -75.68 158.59 32.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -49.79 -42.64 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.8 -55.3 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.572 ' OE1' HD11 ' A' ' 56' ' ' LEU . 40.7 mm-40 -53.14 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.7 -39.01 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.1 ttp -59.19 -38.38 79.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.97 -42.24 8.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.42 -48.26 82.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.45 -39.97 95.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -61.9 -55.45 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.535 ' HG3' HD13 ' A' ' 50' ' ' LEU . 29.7 mmt180 -54.05 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 2.9 t80 -46.0 -58.07 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.4 -49.87 9.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -62.34 -54.4 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.07 123.43 39.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HD2' ' CE2' ' A' ' 72' ' ' TRP . 26.8 mmtt -55.59 -20.59 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 69' ' ' ARG . 12.1 m-85 -147.41 173.13 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.595 HD12 HG11 ' A' ' 61' ' ' VAL . 12.1 mt -134.64 139.48 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -61.51 172.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.26 -59.16 7.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.69 -45.86 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -42.83 -56.31 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -54.58 -37.52 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.03 -57.26 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.93 -51.87 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.535 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.0 tp -60.48 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -41.39 -31.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.08 -38.56 27.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' LEU . 67.3 m -58.11 -49.46 76.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -20.17 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.74 2.72 57.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD11 ' OE1' ' A' ' 28' ' ' GLN . 38.6 mt -74.18 177.04 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -108.62 155.59 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -51.0 -28.24 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.49 -52.74 42.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -38.98 -60.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.65 HG13 ' CE1' ' A' ' 65' ' ' TYR . 78.8 t -53.12 -56.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -45.88 -65.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.1 m -61.1 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 60.1 t90 -37.84 -44.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.65 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -64.01 -63.47 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' TYR . 2.6 tp-100 -36.5 -56.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -51.31 -38.13 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 -74.3 -37.16 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HD3' ' CE2' ' A' ' 41' ' ' TYR . 42.0 mtm180 -56.52 -42.16 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.9 mmt -46.06 -55.25 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -64.03 -44.34 92.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' CE2' ' HD2' ' A' ' 40' ' ' LYS . 29.4 t90 -53.89 -41.0 67.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -79.68 141.56 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -126.8 177.22 6.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 m -86.43 -56.97 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . 148.05 -62.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 54.0 Cg_endo -69.69 114.93 3.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.749 2.299 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 m -158.56 166.03 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t 55.28 42.17 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -120.23 147.21 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -134.95 142.12 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.57 72.76 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -159.67 176.92 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -140.35 124.2 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.17 158.8 9.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.68 158.25 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -142.51 145.16 33.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.23 108.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -129.24 95.87 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -171.36 111.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.7 141.8 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -128.47 87.58 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 176.09 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.26 86.4 1.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -159.54 135.41 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -107.99 130.07 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -110.65 116.8 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -114.67 -46.85 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.2 p -55.69 130.65 44.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.536 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.2 t -98.59 36.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 2.8 m-85 -112.2 147.77 35.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' GLU . 1.7 t -95.31 155.78 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 2.9 mp0 -34.83 -46.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.79 -68.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 54' ' ' LEU . 3.2 mm100 -49.57 -48.64 48.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.52 -44.79 81.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttp -55.27 -43.27 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.3 34.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.6 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -33.06 72.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -66.78 -52.08 48.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.642 ' HG3' HD13 ' A' ' 50' ' ' LEU . 75.6 mmt-85 -63.76 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -44.05 -52.51 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -49.03 -51.98 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.91 -60.21 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -106.85 105.6 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 28.6 mmtm -49.01 -35.2 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 40' ' ' LYS . 1.4 m-85 -147.63 118.52 7.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.669 HD12 HG11 ' A' ' 61' ' ' VAL . 2.3 mt -76.05 158.25 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -76.91 -176.18 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.11 13.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.102 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.518 ' N ' HG22 ' A' ' 44' ' ' THR . 54.3 Cg_endo -69.72 -42.35 3.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 48.3 t0 -43.52 -59.46 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -44.6 -36.8 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.23 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -40.78 -40.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.6 tp -74.52 -57.23 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.21 -19.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -89.11 -31.75 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 p -67.11 -48.51 67.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 28' ' ' GLN . 17.2 mt -87.97 -26.04 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.55 23.84 20.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.71 HD22 ' OE1' ' A' ' 60' ' ' GLN . 13.8 mt -90.71 179.14 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLN . 23.4 t -103.54 133.2 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' SER . 44.0 mt-30 -34.21 -46.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 60' ' ' GLN . 49.9 tp -50.8 -53.67 30.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.71 ' OE1' HD22 ' A' ' 56' ' ' LEU . 42.7 mt-30 -37.66 -67.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.843 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.9 t -49.43 -40.49 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -60.01 -60.78 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.405 HG22 ' ND2' ' A' ' 67' ' ' ASN . 27.6 m -67.2 -60.65 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CH2' ' HB3' ' A' ' 32' ' ' LEU . 46.2 t90 -37.91 -48.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.843 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.8 m-85 -55.84 -65.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -43.24 -52.72 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.405 ' ND2' HG22 ' A' ' 63' ' ' THR . 93.0 m-20 -56.32 -44.95 80.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -57.81 -38.22 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -50.18 -48.34 54.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.4 mmt -42.35 -58.92 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -64.8 -39.41 93.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -57.12 -37.01 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -51.92 121.27 6.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -53.16 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.2 p -112.21 173.95 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.05 -158.28 7.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -3.48 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.3 p -43.25 107.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -75.07 161.32 29.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -149.34 155.98 41.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -132.47 -60.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.3 -100.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t 66.42 44.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -103.97 168.53 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -179.87 28.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.63 129.58 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -127.64 78.02 75.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.44 67.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.68 123.99 6.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.444 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 14' ' ' ALA . 34.0 p -129.98 121.12 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -38.45 -26.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' THR . . . 34.94 50.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -113.11 46.31 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -46.06 -49.62 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.22 -178.23 33.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -120.16 95.61 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -166.35 122.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -174.81 112.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -88.41 103.94 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.6 t -174.85 150.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.14 135.23 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.88 156.24 16.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 p -94.89 157.68 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.1 -40.53 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.94 -52.6 41.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -55.82 -44.94 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.5 -40.66 93.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.3 ttp -61.72 -38.35 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.78 -51.46 5.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 56' ' ' LEU . 22.3 mt -49.8 -34.42 19.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.86 -30.46 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.88 -32.98 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.793 ' HG3' HD13 ' A' ' 50' ' ' LEU . 11.9 mmt180 -82.2 -42.57 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.9 t80 -63.02 -55.46 25.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 6.7 pt-20 -46.36 -49.68 17.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 28.0 mttm -70.36 -61.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -99.91 94.35 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 41' ' ' TYR . 17.9 mmtm -44.48 -30.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 1.4 m-85 -149.33 113.41 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.828 HD12 HG11 ' A' ' 61' ' ' VAL . 14.3 mt -73.7 121.57 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -49.23 173.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.99 -59.12 7.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.73 -38.08 8.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.05 -48.6 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.59 -42.41 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.49 -62.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -39.71 -43.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.793 HD13 ' HG3' ' A' ' 35' ' ' ARG . 15.8 tp -67.81 -55.49 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.846 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -50.03 -18.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -89.82 -32.31 16.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.9 m -76.63 -43.95 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' CD1' HD11 ' A' ' 50' ' ' LEU . 77.0 mt -83.89 -25.13 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.77 11.56 49.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.846 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 58.2 mt -94.28 176.83 6.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.356 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.745 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 74.4 m -105.93 172.73 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -65.12 -19.08 65.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.7 tp -75.57 -55.63 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.745 ' NE2' ' H ' ' A' ' 57' ' ' SER . 2.3 mp0 -40.4 -62.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.828 HG11 HD12 ' A' ' 42' ' ' LEU . 26.3 t -55.08 -52.38 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.05 -65.63 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.2 m -59.3 -62.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 17.4 t90 -39.66 -49.76 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.704 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.66 -58.23 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -41.57 -48.73 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -67.28 -47.55 70.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.542 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 2.9 mmp_? -49.33 -31.4 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HD3' ' CE2' ' A' ' 41' ' ' TYR . 73.4 mtm180 -72.3 -42.1 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mmt -47.53 -32.22 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -94.34 -50.09 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' LYS . 7.7 t90 -49.91 -50.18 47.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' TRP . 11.9 ttmt -34.05 132.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.06 106.15 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.6 t -148.67 131.07 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.11 -95.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 139.16 39.29 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.2 t -86.64 80.46 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p 43.04 36.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -146.96 115.64 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -126.55 174.63 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.47 -150.11 7.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -172.07 175.38 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -165.68 176.88 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.3 -160.59 9.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.35 129.24 2.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -151.94 146.71 18.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -178.72 2.49 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.8 -146.97 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.2 p -143.67 114.06 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -171.98 115.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.58 111.68 24.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 143.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -107.45 83.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 39.46 84.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -54.75 106.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -67.49 95.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p -120.87 -178.78 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -116.0 43.78 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.801 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.2 p -80.08 118.52 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.67 133.87 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -109.26 158.48 17.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' LEU . 23.1 p -103.73 146.27 28.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' THR . 13.2 mt-10 -34.86 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' THR . 6.2 tt -71.1 -57.99 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' HB3' HD11 ' A' ' 56' ' ' LEU . 93.5 mt-30 -54.6 -46.47 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.14 -42.01 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 ttp -50.84 -39.59 53.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.928 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.44 -46.46 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 56' ' ' LEU . 62.3 mt -55.87 -47.46 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.0 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -57.16 -55.48 34.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -62.19 -54.44 40.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.6 t80 -48.84 -45.06 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.46 -54.2 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -55.54 -58.45 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.3 tt0 -120.11 104.54 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLN . 42.0 mmtt -37.71 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' GLN . 26.5 m-85 -132.43 -176.18 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.686 HD12 HG11 ' A' ' 61' ' ' VAL . 44.6 mt -143.5 140.7 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 14.7 m -68.29 165.44 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -47.94 -59.13 6.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.18 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.69 -21.98 33.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HB2' ' N ' ' A' ' 43' ' ' SER . 2.2 m-20 -65.81 -50.11 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 44.0 ttp180 -62.43 -37.24 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.64 -44.22 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.66 -38.61 89.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.62 -55.11 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -50.42 -30.39 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.43 -31.35 53.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -73.98 -47.98 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.02 -22.99 36.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.39 33.08 14.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 28' ' ' GLN . 85.7 mt -106.35 177.04 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 59' ' ' LEU . 63.0 m -100.49 130.91 46.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' SER . 16.8 mt-30 -36.4 -31.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' SER . 46.0 tp -65.21 -48.6 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 15.2 mm-40 -42.96 -59.26 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.802 HG13 ' CE1' ' A' ' 65' ' ' TYR . 62.6 t -55.34 -50.33 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 4.9 tmtm? -50.84 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.629 HG22 ' OD1' ' A' ' 67' ' ' ASN . 31.5 m -64.06 -60.55 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 74.7 t90 -37.83 -47.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.802 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.2 m-85 -59.06 -56.22 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -49.92 -46.64 52.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.629 ' OD1' HG22 ' A' ' 63' ' ' THR . 29.8 m120 -62.85 -17.32 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.9 mmm180 -92.78 -51.99 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 10.0 mtp-105 -53.39 -36.14 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 4.3 ptt? -59.94 -45.14 93.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 70' ' ' MET . 53.0 tttt -79.01 -22.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -77.23 -42.03 38.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -51.67 118.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -57.39 -49.71 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -90.88 55.28 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.83 144.59 17.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -85.46 129.22 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -102.12 166.01 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -174.71 159.85 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -153.39 177.89 10.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.36 162.73 11.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -147.24 155.46 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -168.61 163.28 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.4 166.96 34.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.59 -114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 33.8 mt-10 45.38 53.59 12.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 53.2 Cg_endo -69.78 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.64 170.17 17.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -173.87 149.45 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -141.45 162.17 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.27 178.36 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.57 174.28 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -100.4 142.94 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.83 -139.26 10.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -169.7 -178.5 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.38 150.06 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.5 p -166.65 178.61 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -98.0 -50.25 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 t -52.72 155.48 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.29 13.37 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.625 ' CE1' HD11 ' A' ' 32' ' ' LEU . 62.9 m-85 -83.7 134.78 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 80.8 p -76.37 148.22 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 16.6 mt-10 -37.28 -41.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.64 -51.4 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.545 ' OE1' HD11 ' A' ' 56' ' ' LEU . 32.0 mm-40 -56.29 -48.58 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.67 -42.61 93.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.9 ttp -58.25 -45.25 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.78 -53.31 9.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 ' CE1' ' A' ' 24' ' ' PHE . 16.1 mt -45.48 -49.39 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.3 -40.48 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -51.69 -53.49 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -67.54 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.8 t80 -37.74 -42.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.66 -44.34 86.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 34.9 mttm -63.95 -47.35 80.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 8.5 tt0 -132.97 102.45 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -34.53 -42.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -126.0 158.66 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.565 HD11 ' OH ' ' A' ' 65' ' ' TYR . 77.2 mt -123.6 129.11 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 m -56.88 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.508 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -61.74 -59.09 14.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.81 -35.02 13.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.36 -57.03 14.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.0 ttm105 -52.95 -34.08 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.436 HG12 ' CD ' ' A' ' 58' ' ' GLN . 88.5 mt -70.22 -56.79 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.24 -46.85 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.7 tp -64.02 -59.17 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -43.01 -27.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -82.48 -34.86 27.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -61.6 -46.98 87.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.05 -27.48 17.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.27 37.24 5.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.545 HD11 ' OE1' ' A' ' 28' ' ' GLN . 98.8 mt -103.82 175.14 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' GLN . 14.3 t -95.28 129.74 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' SER . 50.4 mt-30 -34.38 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.77 -51.81 66.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.9 mm-40 -39.05 -63.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.79 HG13 ' CE1' ' A' ' 65' ' ' TYR . 66.2 t -49.77 -48.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -53.53 -63.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.8 m -62.49 -62.97 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 30.5 t90 -37.84 -47.78 1.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.79 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -56.76 -57.47 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -48.2 -57.69 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.08 -41.11 74.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 4.1 mmm180 -57.76 -43.79 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 14.7 mtp-105 -49.57 -57.78 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' ARG . 2.6 mmt -36.32 -61.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -50.96 -48.86 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -43.99 -46.72 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -94.55 127.49 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 t -144.83 161.22 39.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.62 -158.2 27.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 95.45 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.317 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -93.51 179.93 5.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.0 p -86.53 163.43 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -41.66 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -115.29 -61.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 175.81 -50.75 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.474 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.0 t -34.58 132.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -127.37 -56.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.58 -168.84 26.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.51 -164.76 13.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -118.28 144.21 34.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -174.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.85 93.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.7 m -51.09 137.62 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 142.38 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.09 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -168.29 136.56 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -156.95 115.95 3.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.24 -163.11 32.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? 69.03 53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -144.76 149.71 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m 44.31 45.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ttm105 -54.93 125.51 20.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 p -121.76 138.68 54.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.73 129.73 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.36 169.12 8.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -100.41 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.45 -35.93 75.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -71.21 -59.01 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.72 -44.31 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.58 -42.35 98.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.4 ttp -52.41 -44.77 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.82 -47.83 13.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.0 mt -51.27 -47.14 62.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.56 -38.57 90.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -64.57 -41.58 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.75 -43.5 58.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.6 t80 -64.78 -43.72 92.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 6.8 pt-20 -66.11 -43.38 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 51.5 mmtt -65.25 -43.43 91.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.97 103.31 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.6 mmtt -35.92 -39.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -127.9 169.38 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.7 HD12 HG11 ' A' ' 61' ' ' VAL . 57.3 mt -131.31 130.34 42.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 m -64.47 176.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.62 -59.04 11.47 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.78 -28.46 25.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -59.61 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -52.7 -44.29 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.0 mt -61.33 -57.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -43.41 -50.12 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.96 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -38.58 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.74 -47.09 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -50.62 -51.42 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.13 -21.1 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.44 55.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.526 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 59.5 mt -68.17 175.89 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLN . 4.6 m -109.37 145.43 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' SER . 34.2 mt-30 -36.98 -43.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLN . 11.3 tp -52.76 -56.98 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' LEU . 10.0 mm-40 -35.5 -59.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG11 HD12 ' A' ' 42' ' ' LEU . 85.7 t -55.33 -54.99 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -47.14 -61.93 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' TRP . 34.4 m -63.57 -63.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t90 -37.9 -48.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.633 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -58.99 -65.76 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' TYR . 36.0 tt0 -36.03 -48.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.26 -59.48 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -42.45 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' MET . 53.2 mtm-85 -39.53 -58.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.478 ' HA ' ' CG ' ' A' ' 73' ' ' LYS . 7.3 mmt -35.15 -49.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -57.7 -50.11 74.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.33 -42.11 98.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 70' ' ' MET . 17.1 ptmt -82.23 169.39 16.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.1 tttt 43.05 38.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 m -139.55 106.56 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.67 -84.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -10.75 29.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.608 2.206 . . . . 0.0 112.321 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t 42.7 42.24 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t -109.25 90.01 3.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -133.26 177.18 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 p -143.19 176.85 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.7 152.12 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -167.24 130.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -157.42 135.59 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.93 167.51 19.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.83 121.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -125.1 142.4 41.21 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.629 0.728 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 159.77 52.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.08 131.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 12' ' ' THR . 8.9 t -158.32 107.44 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -119.33 126.92 52.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.41 108.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.29 158.46 28.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -88.21 -55.31 3.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.51 -99.36 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 19' ' ' ARG . 16.5 tpt180 -128.15 152.24 48.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 64.5 ttt180 -69.65 -50.84 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -171.98 152.51 2.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -88.32 -49.23 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -110.49 162.84 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -95.86 11.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.511 ' CZ ' ' OE1' ' A' ' 60' ' ' GLN . 63.2 m-85 -83.26 138.59 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.0 p -83.62 145.23 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -39.43 -36.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.78 -51.04 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.624 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.9 mt-30 -59.7 -46.62 88.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.29 -41.7 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttp -51.5 -44.06 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.68 -54.2 6.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 56' ' ' LEU . 24.6 mt -49.11 -45.02 42.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -67.97 -40.9 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -59.22 -48.19 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG3' HD13 ' A' ' 50' ' ' LEU . 8.6 mmt180 -66.58 -51.78 52.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.3 t80 -55.95 -55.86 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 4.0 pt-20 -49.46 -31.16 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 62.1 mmtt -82.09 -40.43 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 35' ' ' ARG . 2.3 pt20 -140.27 125.36 18.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -60.38 -14.83 20.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 46.7 m-85 -149.26 -177.48 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD12 HG11 ' A' ' 61' ' ' VAL . 11.5 mt -151.18 145.13 25.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 m -58.56 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -68.04 -58.45 7.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.682 . . . . 0.0 111.113 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.79 -14.7 36.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 33.4 t0 -69.61 -57.1 5.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NE ' ' HB3' ' A' ' 58' ' ' GLN . 51.8 ttp180 -51.48 -40.68 59.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.43 -55.7 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -48.47 -49.3 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.0 tp -65.36 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -39.56 -30.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -77.14 -42.25 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 50.6 m -59.41 -47.09 86.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.4 -20.53 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.08 10.59 59.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.624 HD21 ' CD ' ' A' ' 28' ' ' GLN . 87.7 mt -88.79 175.28 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLN . 74.2 m -108.49 142.11 39.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' SER . 18.3 mt-30 -34.46 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.4 tp -50.42 -54.06 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.511 ' OE1' ' CZ ' ' A' ' 24' ' ' PHE . 2.6 mm-40 -42.61 -63.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.606 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.5 t -53.88 -55.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 64' ' ' TRP . 32.4 m -62.01 -62.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 62.2 t90 -37.69 -46.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.606 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.6 m-85 -63.26 -61.74 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -47.39 -43.88 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -67.93 -22.62 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 -85.01 -57.17 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' TRP . 12.4 mtp-105 -44.4 -57.34 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 6.5 ptp -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 70' ' ' MET . 4.5 tmtm? -69.29 -31.25 69.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ARG . 9.7 t90 -67.87 -53.51 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -55.23 -35.35 64.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -102.36 82.24 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -97.77 112.27 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.02 152.35 28.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -29.64 23.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -87.77 105.84 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.5 p -131.79 152.74 50.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.454 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 96.4 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.949 0.404 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' GLU . 73.7 p -80.67 145.08 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' THR . 41.8 mm-40 -37.44 -41.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.43 -54.83 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.08 -52.7 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -54.15 -48.37 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttp -48.63 -46.79 40.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.89 62.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 37.0 mt -57.15 -42.57 81.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.91 -38.23 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.1 -51.63 67.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG3' HD13 ' A' ' 50' ' ' LEU . 23.4 mmt-85 -61.27 -65.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.58 -57.11 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -46.11 -54.48 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.77 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -129.22 98.76 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.61 121.17 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.814 HD12 HG11 ' A' ' 61' ' ' VAL . 24.7 mt -80.43 171.76 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 m -92.87 174.41 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.89 -59.13 11.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.118 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.77 -44.25 2.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -62.31 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.7 ttm105 -42.4 -36.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.43 -54.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -46.75 -42.12 16.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.721 HD11 HD12 ' A' ' 54' ' ' LEU . 11.1 tp -65.79 -57.25 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -47.71 -24.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.64 -31.47 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -44.59 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.721 HD12 HD11 ' A' ' 50' ' ' LEU . 50.1 mt -88.67 -23.06 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.35 19.77 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.639 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 95.2 mt -93.24 175.5 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' GLN . 33.0 m -100.4 133.57 44.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' SER . 35.0 mt-30 -35.36 -43.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.33 -45.7 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.485 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 15.9 mm-40 -44.31 -64.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.814 HG11 HD12 ' A' ' 42' ' ' LEU . 21.5 t -49.33 -53.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -49.98 -61.85 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -61.54 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.4 t90 -37.98 -46.13 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.744 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.1 m-85 -57.67 -69.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' TYR . 29.9 mt-30 -36.0 -52.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -55.42 -45.02 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' TYR . 24.1 mmt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE1' HD22 ' A' ' 56' ' ' LEU . 25.8 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.973 0.416 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' GLU . 6.9 p -83.52 154.96 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' THR . 35.0 mt-10 -37.19 -48.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.76 -58.33 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.39 -51.35 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -39.48 76.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ttp -55.77 -45.11 78.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.27 -35.75 52.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 15.4 mt -61.68 -43.62 98.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -71.62 -34.17 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -62.71 -53.89 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 50' ' ' LEU . 9.1 mmt180 -64.77 -44.53 89.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -62.25 -41.39 98.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.52 -54.77 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.72 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' TYR . 29.8 tt0 -133.99 91.31 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 17.3 mmtm -37.33 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' GLN . 1.7 m-85 -124.04 -179.68 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.897 HD12 HG11 ' A' ' 61' ' ' VAL . 88.4 mt -147.7 132.52 18.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -64.66 171.86 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -55.67 -59.13 12.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.619 0.723 . . . . 0.0 111.148 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.52 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.75 -18.06 37.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -73.76 -65.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -43.95 -35.76 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.41 -56.18 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -47.05 -49.75 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 54' ' ' LEU . 14.7 tp -60.78 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -41.14 -27.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' LEU . 6.9 mt-10 -83.39 -42.09 17.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 30.6 m -57.75 -53.46 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 50' ' ' LEU . 35.2 mt -81.39 -24.51 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.09 3.68 56.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 10.8 mt -75.86 170.72 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLN . 3.8 m -102.93 141.47 35.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' SER . 46.2 mt-30 -36.4 -42.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.97 -45.71 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' SER . 5.3 mm-40 -46.33 -64.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.899 HG13 ' CE1' ' A' ' 65' ' ' TYR . 46.4 t -52.79 -54.32 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -47.12 -63.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.0 m -62.64 -63.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 31.7 t90 -37.86 -47.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.899 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.6 m-85 -60.89 -64.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' TYR . 54.3 mt-30 -34.78 -57.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -57.82 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CE1' ' OE1' ' A' ' 60' ' ' GLN . 89.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 4.1 p -85.6 151.99 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 40.1 mt-10 -37.42 -38.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.27 -66.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.613 ' HB3' HD11 ' A' ' 56' ' ' LEU . 84.5 mt-30 -47.12 -38.28 11.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.8 -40.5 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 ttp -62.78 -37.53 87.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.22 -39.73 11.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.9 -45.92 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.56 -42.39 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -53.6 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.63 -63.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.1 t80 -39.46 -41.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.24 -54.56 19.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -54.32 -43.84 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.2 tt0 -133.23 101.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLN . 45.7 mmtt -36.87 -35.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 3.6 m-85 -128.34 -177.07 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.737 HD12 HG11 ' A' ' 61' ' ' VAL . 82.2 mt -143.58 137.57 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -68.48 176.78 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.63 -59.18 11.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.688 . . . . 0.0 111.126 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.2 Cg_endo -69.68 -40.56 5.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.91 -56.74 13.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -49.74 -40.45 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.79 -62.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -38.45 -49.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 tp -62.09 -58.72 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -44.94 -30.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.24 -34.13 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.2 t -69.84 -42.21 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 28' ' ' GLN . 86.4 mt -90.09 -28.11 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.66 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.778 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 53.0 mt -97.48 167.95 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.1 m -93.55 139.04 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' SER . 45.7 mt-30 -36.79 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.4 tp -64.75 -55.48 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.506 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 8.1 mm-40 -37.87 -58.64 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.852 HG13 ' CE1' ' A' ' 65' ' ' TYR . 87.5 t -57.19 -56.32 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -45.87 -62.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' TRP . 26.6 m -65.39 -62.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 76.4 t90 -37.85 -44.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.852 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.4 m-85 -61.81 -58.52 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -48.89 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.05 -18.74 48.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.48 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 33.7 mmt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.936 0.398 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 p -78.43 163.0 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.88 -44.27 14.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.79 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -47.5 -47.56 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 mt -63.31 -47.15 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.0 ttp -46.73 -41.44 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.94 -39.72 16.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 47.5 mt -59.69 -41.5 90.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -67.78 -41.09 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -62.84 -59.44 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.855 ' HG3' HD13 ' A' ' 50' ' ' LEU . 14.9 mmm180 -56.49 -46.35 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.3 t80 -61.51 -47.84 83.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.1 -54.77 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -55.78 -52.71 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.6 tt0 -122.0 95.6 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 16.6 mmmt -34.34 -40.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.16 125.06 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.81 HD12 HG11 ' A' ' 61' ' ' VAL . 4.8 mt -83.09 148.49 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.1 -176.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.13 13.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.76 -47.39 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -57.28 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -49.73 -46.63 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.89 -61.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -38.23 -48.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.855 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.3 tp -61.3 -65.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.789 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -36.43 -35.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -77.29 -42.99 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' LEU . 47.8 t -59.35 -44.6 92.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 50' ' ' LEU . 95.9 mt -87.63 -25.95 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.25 -5.54 38.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.789 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 23.9 mt -77.55 174.84 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -107.4 156.12 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -47.7 -30.12 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' GLN . 59.6 tp -63.68 -61.49 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.9 mm100 -34.69 -59.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG11 HD12 ' A' ' 42' ' ' LEU . 48.3 t -52.14 -55.94 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -64.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -60.51 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 38.6 t90 -38.1 -44.95 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.703 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -62.42 -62.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -44.45 -52.49 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -58.26 -51.83 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.63 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 68.6 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.933 0.397 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 69.8 p -103.66 148.17 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 43.4 mt-10 -36.06 -41.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.3 tt -67.08 -58.56 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -50.28 -44.94 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.95 -47.04 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttp -52.96 -42.66 65.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.58 -55.73 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -44.45 -47.29 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.7 -41.79 87.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -52.71 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -67.19 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 4.2 t80 -37.56 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -62.97 -49.45 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -61.03 -50.15 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.6 tt0 -126.61 98.76 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 22.9 mmtt -36.2 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' GLN . 29.0 m-85 -132.31 -178.51 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 HG11 ' A' ' 61' ' ' VAL . 47.9 mt -145.14 142.25 29.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -69.15 -175.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -63.21 -59.17 12.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.189 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HA ' HD12 ' A' ' 48' ' ' ILE . 53.7 Cg_endo -69.76 -43.88 2.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -60.16 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -46.73 -41.85 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 45' ' ' PRO . 52.9 mt -62.97 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.5 tp -64.02 -60.92 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.2 -29.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -78.11 -35.29 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.1 t -68.45 -42.56 78.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -25.95 21.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 31.67 11.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -103.35 176.31 5.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.0 m -99.62 136.64 39.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.459 ' NE2' HG12 ' A' ' 48' ' ' ILE . 80.3 mt-30 -37.7 -42.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.93 -43.6 81.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.63 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 14.6 mm100 -45.07 -58.9 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.904 HG13 ' CE1' ' A' ' 65' ' ' TYR . 99.3 t -55.3 -54.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -46.23 -65.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.7 m -63.81 -61.31 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 71.1 t90 -37.94 -47.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.904 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.4 m-85 -59.54 -55.71 31.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.37 -51.99 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -56.68 -20.79 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 6.2 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.541 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 29.9 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.909 0.385 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -89.32 168.7 12.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.31 -35.63 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 tp -70.53 -59.26 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -54.29 -46.38 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.75 -48.62 80.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.9 ttp -46.11 -42.48 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.27 -49.42 6.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 19.0 mt -53.98 -33.01 55.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -76.33 -37.13 57.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -65.97 -37.31 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -76.89 -48.92 16.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -59.37 -42.9 92.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.76 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -75.46 -55.4 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.9 tt0 -124.39 108.87 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.5 mmtm -36.58 -41.17 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -134.44 142.66 47.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.972 HD12 HG11 ' A' ' 61' ' ' VAL . 30.7 mt -97.23 125.53 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -53.3 161.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -39.52 -59.2 1.69 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.625 0.726 . . . . 0.0 111.166 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.78 -44.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.35 -60.71 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -47.4 -38.61 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 45' ' ' PRO . 68.6 mt -66.58 -57.77 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -44.31 -41.39 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' SER . 12.6 tp -68.14 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.65 -27.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.42 -40.48 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m -57.88 -49.56 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.56 -28.33 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.39 29.06 9.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.594 HD22 ' NE2' ' A' ' 60' ' ' GLN . 48.3 mt -93.93 -178.58 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' LEU . 26.9 t -103.95 136.06 44.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -38.32 -29.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' SER . 26.7 tp -67.3 -50.54 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.594 ' NE2' HD22 ' A' ' 56' ' ' LEU . 36.0 mt-30 -39.6 -61.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.972 HG11 HD12 ' A' ' 42' ' ' LEU . 24.2 t -55.82 -51.83 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -50.34 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.592 HG22 ' ND2' ' A' ' 67' ' ' ASN . 31.6 m -61.92 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 32.3 t90 -38.11 -47.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.63 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.53 -69.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -40.51 -46.66 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.592 ' ND2' HG22 ' A' ' 63' ' ' THR . 49.2 m-80 -63.22 -34.9 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' TYR . 19.9 mmt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLU . 46.5 p -77.48 146.53 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' THR . 18.9 mt-10 -37.87 -44.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.65 -53.3 53.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.73 ' CD ' HD21 ' A' ' 56' ' ' LEU . 31.4 mm-40 -55.76 -45.06 78.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttp -57.64 -37.85 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.18 -50.4 5.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.1 mt -54.07 -38.09 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -73.33 -35.85 66.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -34.36 77.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 50' ' ' LEU . 14.6 mmt180 -79.46 -44.44 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 4.2 t80 -64.72 -50.93 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.0 pt-20 -53.81 -47.17 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 17.9 mtpp -64.16 -56.68 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -121.95 110.63 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -41.96 -42.65 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -126.98 157.7 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.839 HD12 HG11 ' A' ' 61' ' ' VAL . 60.0 mt -114.84 146.95 40.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -72.69 157.5 37.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -41.88 -59.1 2.75 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.549 0.69 . . . . 0.0 111.128 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 44' ' ' THR . 53.8 Cg_endo -69.8 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.7 m-20 -52.5 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 18.5 ttp-105 -38.1 -36.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.07 -54.33 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -44.68 -46.51 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 ' HG3' ' A' ' 35' ' ' ARG . 9.9 tp -65.1 -57.73 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -46.5 -25.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.01 -29.97 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.2 t -68.64 -44.85 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.79 -28.45 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.52 30.17 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.73 HD21 ' CD ' ' A' ' 28' ' ' GLN . 14.9 mt -96.55 170.59 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.4 m -97.58 131.78 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' SER . 49.8 mt-30 -34.24 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' SER . 33.9 tp -61.22 -51.9 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 16.3 mm-40 -41.24 -59.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.839 HG11 HD12 ' A' ' 42' ' ' LEU . 27.1 t -57.21 -56.23 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -46.55 -62.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -64.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 76.6 t90 -37.81 -48.05 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.762 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.1 m-85 -58.34 -62.26 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -45.03 -56.13 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -52.04 -44.44 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.556 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 16.1 mmm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.967 0.413 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.9 p -85.41 160.11 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -48.24 -41.65 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.68 -56.69 9.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.435 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.0 mt-30 -52.22 -49.66 63.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.78 -49.47 76.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.7 ttp -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.62 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -66.9 -48.11 62.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 49.2 mt -57.86 -41.5 82.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -68.53 -46.22 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -57.05 -43.37 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.598 ' HG3' HD13 ' A' ' 50' ' ' LEU . 27.6 mmt-85 -73.46 -46.92 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 36' ' ' PHE . 4.2 t80 -60.26 -27.28 67.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -73.31 -53.58 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -65.7 -49.31 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.798 HE21 HD23 ' A' ' 42' ' ' LEU . 7.3 tt0 -117.8 103.82 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -47.91 -42.1 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.8 117.99 15.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.798 HD23 HE21 ' A' ' 39' ' ' GLN . 15.1 mt -76.76 144.3 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 m -66.83 -177.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -59.28 -59.13 14.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.573 0.701 . . . . 0.0 111.179 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.523 ' N ' HG22 ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.8 -44.38 2.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -45.41 -63.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 59.4 ttp180 -42.36 -42.98 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 45' ' ' PRO . 64.9 mt -61.34 -62.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.61 -43.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 35' ' ' ARG . 12.5 tp -67.67 -65.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -38.27 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' LEU . 29.3 mm-40 -81.21 -42.43 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' LEU . 73.8 m -55.92 -50.37 70.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.62 HD11 ' HA3' ' A' ' 31' ' ' GLY . 96.1 mt -83.48 -24.22 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.0 -3.83 48.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.559 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 62.7 mt -74.88 175.92 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.3 m -105.21 165.55 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -54.65 -36.56 64.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 60' ' ' GLN . 28.2 tp -56.95 -60.48 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.7 mm-40 -34.44 -64.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 42' ' ' LEU . 81.6 t -53.59 -56.6 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 40.2 tttt -46.96 -64.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -60.94 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 26.7 t90 -37.86 -48.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.615 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.1 m-85 -58.03 -57.08 14.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.13 -57.0 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -54.96 -19.6 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 22.5 mmm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 59.5 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 p -82.71 164.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -49.71 -41.55 43.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.52 -55.9 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.831 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.7 mm-40 -55.3 -53.82 51.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.65 -39.82 85.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.8 ttp -48.89 -41.01 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.24 -48.8 5.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 56' ' ' LEU . 43.5 mt -48.38 -44.1 34.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.64 -41.98 83.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -61.01 -57.91 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' PHE . 42.2 mmt-85 -59.42 -65.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -37.07 -56.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.66 -54.64 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.15 -34.19 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -143.45 116.6 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -54.14 -15.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 3.4 m-85 -150.97 -176.1 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.76 HD12 HG11 ' A' ' 61' ' ' VAL . 8.3 mt -149.36 137.79 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -58.37 174.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.92 -59.16 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.8 -39.94 5.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -59.26 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.3 ttm105 -52.56 -31.25 35.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 45' ' ' PRO . 79.9 mt -72.44 -47.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.74 -45.1 78.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.93 -57.0 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.21 -34.6 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -65.85 -50.0 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 28' ' ' GLN . 33.1 mt -83.77 -29.03 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 11.62 41.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 28' ' ' GLN . 14.6 mt -81.09 -177.91 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.5 t -109.42 136.64 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' SER . 39.0 mt-30 -34.36 -46.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.48 -45.88 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.497 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.2 mm-40 -44.77 -67.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.798 HG13 ' CE1' ' A' ' 65' ' ' TYR . 60.5 t -48.71 -50.27 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -50.63 -62.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.2 m -63.25 -63.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 65.8 t90 -37.72 -44.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.798 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -62.34 -65.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -38.38 -53.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.89 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 3.9 mmp_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -95.89 148.83 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.41 -37.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.08 -48.03 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' CD ' HD21 ' A' ' 56' ' ' LEU . 93.5 mt-30 -61.94 -47.93 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.58 -45.2 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.16 -42.99 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.91 -54.65 5.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.879 HD11 ' CD1' ' A' ' 56' ' ' LEU . 15.9 mt -46.57 -42.28 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.02 -50.14 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -48.72 -50.13 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.51 ' HG2' HD13 ' A' ' 50' ' ' LEU . 8.0 mpt_? -68.35 -62.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.0 t80 -41.4 -39.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.29 -46.53 73.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -42.03 97.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.95 92.02 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 26.4 mmtm -33.9 -40.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -123.66 159.44 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 61' ' ' VAL . 73.5 mt -124.56 158.81 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t -82.97 165.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.99 -59.03 8.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.515 ' N ' HG22 ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -57.68 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -43.93 -41.06 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 45' ' ' PRO . 55.7 mt -64.25 -55.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.53 -50.51 23.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' ' 35' ' ' ARG . 14.1 tp -61.06 -57.69 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -44.7 -32.86 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.45 -34.7 60.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -66.27 -45.37 80.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.59 -27.27 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.11 29.47 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.879 ' CD1' HD11 ' A' ' 32' ' ' LEU . 89.8 mt -102.94 174.72 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.1 m -97.7 142.15 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.9 -40.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -43.27 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -47.6 -63.03 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.681 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.7 t -53.9 -40.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -59.16 -62.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' TRP . 54.7 m -66.94 -58.98 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.579 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 22.2 t90 -37.87 -48.99 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -58.69 -65.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' TYR . 33.8 tt0 -36.99 -42.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -70.82 -51.57 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 1.4 mmp_? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 52.5 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.901 0.381 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -100.73 155.18 18.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -45.51 -42.29 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.31 -54.52 23.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.492 ' HB3' HD11 ' A' ' 56' ' ' LEU . 65.9 mt-30 -53.47 -48.38 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.01 -46.67 89.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.98 -44.85 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -46.89 20.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 26.0 mt -51.42 -49.66 61.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.15 -42.96 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -48.89 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG3' HD13 ' A' ' 50' ' ' LEU . 10.6 mmt180 -70.62 -65.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 3.9 t80 -37.32 -49.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -65.25 -58.99 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -110.49 93.66 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -39.69 -37.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -138.37 116.32 11.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.589 HD12 HG11 ' A' ' 61' ' ' VAL . 13.5 mt -74.28 178.17 5.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -102.3 169.86 8.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.57 -59.15 7.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.154 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.79 -46.09 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.31 -55.78 14.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -44.05 -38.32 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.83 -59.2 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.66 -50.36 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' SER . 15.2 tp -63.1 -60.41 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -76.81 -35.74 57.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 45.7 m -63.23 -46.51 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 28' ' ' GLN . 20.7 mt -88.19 -25.26 23.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 33.91 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 28' ' ' GLN . 73.7 mt -100.66 177.68 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.2 m -99.88 130.67 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' SER . 57.3 mt-30 -34.29 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.9 tp -62.56 -49.26 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.599 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.6 mm-40 -41.27 -56.56 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.607 HG13 ' CE1' ' A' ' 65' ' ' TYR . 71.6 t -54.58 -58.46 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -46.83 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.5 m -62.06 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.7 t90 -37.87 -45.05 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.607 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.0 m-85 -60.66 -59.2 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -40.72 -60.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -57.0 -49.05 76.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.943 0.401 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' GLU . 60.3 p -103.75 143.01 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' THR . 47.3 mt-10 -35.94 -43.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.11 -59.42 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.606 ' HB3' HD11 ' A' ' 56' ' ' LEU . 88.5 mt-30 -51.41 -46.02 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.7 -44.11 97.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.6 ttp -53.04 -44.6 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.18 -43.72 46.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 35.2 mt -54.2 -46.33 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.63 -40.39 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -49.85 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.645 ' HG3' HD22 ' A' ' 50' ' ' LEU . 16.2 mmt180 -64.53 -50.64 66.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -59.29 -44.97 92.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.48 -54.74 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.74 -57.67 8.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' HG2' ' C ' ' A' ' 41' ' ' TYR . 30.3 tt0 -110.25 95.92 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -43.07 -35.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.438 ' C ' ' HG2' ' A' ' 39' ' ' GLN . 2.5 m-85 -137.11 110.09 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 61' ' ' VAL . 36.3 mt -71.39 147.82 47.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -74.44 174.84 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -56.68 -59.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.78 -32.9 17.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.14 -59.07 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.3 ttm105 -44.82 -37.16 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.88 -58.98 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 35' ' ' ARG . 14.2 tp -58.74 -61.41 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -41.52 -31.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.25 -40.79 58.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' LEU . 33.1 t -61.28 -45.26 95.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 28' ' ' GLN . 47.7 mt -89.67 -25.31 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.49 31.81 11.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 28' ' ' GLN . 78.3 mt -100.39 -179.85 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' GLN . 18.4 m -104.67 133.31 49.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' SER . 36.2 mt-30 -36.01 -39.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.74 -46.84 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' SER . 15.2 mm-40 -45.72 -68.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 42' ' ' LEU . 6.7 t -45.22 -48.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -53.5 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' TRP . 89.6 m -63.68 -62.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 20.8 t90 -37.81 -44.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.7 m-85 -61.82 -57.63 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.03 -56.13 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -52.88 -45.07 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 32' ' ' LEU . 2.4 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 28' ' ' GLN . 9.3 t -77.39 152.24 34.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -41.06 -33.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.92 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.646 ' H ' HG23 ' A' ' 25' ' ' THR . 20.8 mt-30 -49.69 -33.16 15.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 24' ' ' PHE . 21.1 mt -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ttp -58.8 -40.64 84.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.68 -50.46 30.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 24' ' ' PHE . 12.7 mt -42.88 -45.8 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.73 -47.77 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -56.01 -62.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.822 ' HG3' HD13 ' A' ' 50' ' ' LEU . 10.5 mmp_? -50.37 -56.81 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -52.73 -41.1 63.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.75 -47.69 83.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -60.59 -52.32 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' TYR . 3.6 tt0 -126.1 102.23 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -37.56 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -153.46 114.79 4.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 HG11 ' A' ' 61' ' ' VAL . 2.9 mt -70.69 157.71 37.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -77.52 176.29 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.2 -59.03 9.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.543 0.687 . . . . 0.0 111.135 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.78 -45.17 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -56.24 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 58' ' ' GLN . 37.0 ttp180 -46.96 -36.78 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 45' ' ' PRO . 73.1 mt -68.81 -60.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -38.59 -48.57 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.822 HD13 ' HG3' ' A' ' 35' ' ' ARG . 8.6 tp -65.35 -60.8 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.949 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -42.92 -27.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.82 -33.99 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.2 m -74.58 -44.88 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.593 HD12 HD11 ' A' ' 50' ' ' LEU . 35.7 mt -84.36 -26.77 28.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.22 33.18 6.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.949 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 35.9 mt -108.54 162.64 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 58.8 m -96.54 138.11 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 47' ' ' ARG . 61.6 mt-30 -34.4 -35.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' SER . 30.4 tp -60.58 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.0 mm-40 -39.87 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HD12 ' A' ' 42' ' ' LEU . 48.5 t -46.65 -54.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.82 -48.08 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 64' ' ' TRP . 85.9 m -78.02 -64.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' THR . 36.7 t90 -37.48 -50.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.608 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.2 m-85 -63.76 -72.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' TYR . 8.6 mm-40 -34.53 -54.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.1 -41.02 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' TYR . 13.7 mmm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 p -75.68 158.59 32.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -49.79 -42.64 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.8 -55.3 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.572 ' OE1' HD11 ' A' ' 56' ' ' LEU . 40.7 mm-40 -53.14 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.7 -39.01 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.1 ttp -59.19 -38.38 79.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.97 -42.24 8.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.42 -48.26 82.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.45 -39.97 95.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -61.9 -55.45 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.535 ' HG3' HD13 ' A' ' 50' ' ' LEU . 29.7 mmt180 -54.05 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 2.9 t80 -46.0 -58.07 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.4 -49.87 9.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -62.34 -54.4 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.07 123.43 39.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -55.59 -20.59 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -147.41 173.13 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.595 HD12 HG11 ' A' ' 61' ' ' VAL . 12.1 mt -134.64 139.48 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -61.51 172.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.26 -59.16 7.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.69 -45.86 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -42.83 -56.31 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -54.58 -37.52 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.03 -57.26 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.93 -51.87 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.535 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.0 tp -60.48 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -41.39 -31.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.08 -38.56 27.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' LEU . 67.3 m -58.11 -49.46 76.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -20.17 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.74 2.72 57.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.572 HD11 ' OE1' ' A' ' 28' ' ' GLN . 38.6 mt -74.18 177.04 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -108.62 155.59 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -51.0 -28.24 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.49 -52.74 42.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -38.98 -60.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.65 HG13 ' CE1' ' A' ' 65' ' ' TYR . 78.8 t -53.12 -56.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -45.88 -65.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.1 m -61.1 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 60.1 t90 -37.84 -44.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.65 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -64.01 -63.47 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' TYR . 4.2 tp60 -36.5 -56.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -51.31 -38.13 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 2.8 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.967 0.413 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' GLU . 1.7 t -95.31 155.78 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 2.9 mp0 -34.83 -46.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.79 -68.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 54' ' ' LEU . 3.2 mm100 -49.57 -48.64 48.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.52 -44.79 81.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttp -55.27 -43.27 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.3 34.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.6 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -33.06 72.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -66.78 -52.08 48.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.642 ' HG3' HD13 ' A' ' 50' ' ' LEU . 75.6 mmt-85 -63.76 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -44.05 -52.51 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -49.03 -51.98 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.91 -60.21 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -106.85 105.6 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 28.6 mmtm -49.01 -35.2 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 40' ' ' LYS . 1.4 m-85 -147.63 118.52 7.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.669 HD12 HG11 ' A' ' 61' ' ' VAL . 2.3 mt -76.05 158.25 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -76.91 -176.18 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.11 13.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.102 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.518 ' N ' HG22 ' A' ' 44' ' ' THR . 54.3 Cg_endo -69.72 -42.35 3.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 48.3 t0 -43.52 -59.46 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -44.6 -36.8 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.23 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -40.78 -40.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.6 tp -74.52 -57.23 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.21 -19.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -89.11 -31.75 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 p -67.11 -48.51 67.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 28' ' ' GLN . 17.2 mt -87.97 -26.04 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.55 23.84 20.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.71 HD22 ' OE1' ' A' ' 60' ' ' GLN . 13.8 mt -90.71 179.14 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLN . 23.4 t -103.54 133.2 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' SER . 44.0 mt-30 -34.21 -46.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 60' ' ' GLN . 49.9 tp -50.8 -53.67 30.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.71 ' OE1' HD22 ' A' ' 56' ' ' LEU . 42.7 mt-30 -37.66 -67.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.843 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.9 t -49.43 -40.49 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -60.01 -60.78 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.405 HG22 ' ND2' ' A' ' 67' ' ' ASN . 27.6 m -67.2 -60.65 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CH2' ' HB3' ' A' ' 32' ' ' LEU . 46.2 t90 -37.91 -48.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.843 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.8 m-85 -55.84 -65.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -43.24 -52.72 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.405 ' ND2' HG22 ' A' ' 63' ' ' THR . 93.0 m-20 -56.32 -44.95 80.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 p -94.89 157.68 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.1 -40.53 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.94 -52.6 41.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -55.82 -44.94 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.5 -40.66 93.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.3 ttp -61.72 -38.35 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.78 -51.46 5.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 56' ' ' LEU . 22.3 mt -49.8 -34.42 19.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.86 -30.46 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.88 -32.98 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.793 ' HG3' HD13 ' A' ' 50' ' ' LEU . 11.9 mmt180 -82.2 -42.57 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.9 t80 -63.02 -55.46 25.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 6.7 pt-20 -46.36 -49.68 17.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 28.0 mttm -70.36 -61.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -99.91 94.35 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 41' ' ' TYR . 17.9 mmtm -44.48 -30.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 1.4 m-85 -149.33 113.41 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.828 HD12 HG11 ' A' ' 61' ' ' VAL . 14.3 mt -73.7 121.57 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -49.23 173.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.99 -59.12 7.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.73 -38.08 8.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.05 -48.6 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.59 -42.41 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.49 -62.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -39.71 -43.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.793 HD13 ' HG3' ' A' ' 35' ' ' ARG . 15.8 tp -67.81 -55.49 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.846 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -50.03 -18.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -89.82 -32.31 16.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.9 m -76.63 -43.95 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.526 ' CD1' HD11 ' A' ' 50' ' ' LEU . 77.0 mt -83.89 -25.13 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.77 11.56 49.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.846 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 58.2 mt -94.28 176.83 6.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.356 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.745 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 74.4 m -105.93 172.73 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -65.12 -19.08 65.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.7 tp -75.57 -55.63 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.745 ' NE2' ' H ' ' A' ' 57' ' ' SER . 2.3 mp0 -40.4 -62.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.828 HG11 HD12 ' A' ' 42' ' ' LEU . 26.3 t -55.08 -52.38 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.05 -65.63 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.2 m -59.3 -62.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 17.4 t90 -39.66 -49.76 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.704 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.66 -58.23 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -41.57 -48.73 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -67.28 -47.55 70.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.542 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 2.9 mmp_? . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.889 0.376 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' LEU . 23.1 p -103.73 146.27 28.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' THR . 13.2 mt-10 -34.86 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' THR . 6.2 tt -71.1 -57.99 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.468 ' HB3' HD11 ' A' ' 56' ' ' LEU . 93.5 mt-30 -54.6 -46.47 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.14 -42.01 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 ttp -50.84 -39.59 53.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.928 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.44 -46.46 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 56' ' ' LEU . 62.3 mt -55.87 -47.46 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.0 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -57.16 -55.48 34.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -62.19 -54.44 40.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.6 t80 -48.84 -45.06 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.46 -54.2 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -55.54 -58.45 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.3 tt0 -120.11 104.54 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLN . 42.0 mmtt -37.71 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' GLN . 26.5 m-85 -132.43 -176.18 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.686 HD12 HG11 ' A' ' 61' ' ' VAL . 44.6 mt -143.5 140.7 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 14.7 m -68.29 165.44 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -47.94 -59.13 6.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.18 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.511 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.69 -21.98 33.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HB2' ' N ' ' A' ' 43' ' ' SER . 2.2 m-20 -65.81 -50.11 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 44.0 ttp180 -62.43 -37.24 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.64 -44.22 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.66 -38.61 89.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.62 -55.11 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -50.42 -30.39 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.43 -31.35 53.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -73.98 -47.98 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.02 -22.99 36.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.39 33.08 14.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 28' ' ' GLN . 85.7 mt -106.35 177.04 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 59' ' ' LEU . 63.0 m -100.49 130.91 46.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' SER . 16.8 mt-30 -36.4 -31.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' SER . 46.0 tp -65.21 -48.6 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 15.2 mm-40 -42.96 -59.26 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.802 HG13 ' CE1' ' A' ' 65' ' ' TYR . 62.6 t -55.34 -50.33 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.41 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 4.9 tmtm? -50.84 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.779 HG22 ' ND2' ' A' ' 67' ' ' ASN . 31.5 m -64.06 -60.55 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 74.7 t90 -37.83 -47.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.802 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.2 m-85 -59.06 -56.22 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -49.92 -46.64 52.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.779 ' ND2' HG22 ' A' ' 63' ' ' THR . 71.2 m-80 -62.85 -17.32 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.9 mmm180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.625 ' CE1' HD11 ' A' ' 32' ' ' LEU . 62.9 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.977 0.418 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 80.8 p -76.37 148.22 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 16.6 mt-10 -37.28 -41.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.64 -51.4 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.545 ' OE1' HD11 ' A' ' 56' ' ' LEU . 32.0 mm-40 -56.29 -48.58 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.67 -42.61 93.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.9 ttp -58.25 -45.25 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.78 -53.31 9.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 ' CE1' ' A' ' 24' ' ' PHE . 16.1 mt -45.48 -49.39 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.3 -40.48 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -51.69 -53.49 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -67.54 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.8 t80 -37.74 -42.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.66 -44.34 86.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 34.9 mttm -63.95 -47.35 80.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 8.5 tt0 -132.97 102.45 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -34.53 -42.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -126.0 158.66 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.565 HD11 ' OH ' ' A' ' 65' ' ' TYR . 77.2 mt -123.6 129.11 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 m -56.88 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.508 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -61.74 -59.09 14.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.81 -35.02 13.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.36 -57.03 14.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.0 ttm105 -52.95 -34.08 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.436 HG12 ' CD ' ' A' ' 58' ' ' GLN . 88.5 mt -70.22 -56.79 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.24 -46.85 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.7 tp -64.02 -59.17 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -43.01 -27.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -82.48 -34.86 27.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -61.6 -46.98 87.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.05 -27.48 17.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.27 37.24 5.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.545 HD11 ' OE1' ' A' ' 28' ' ' GLN . 98.8 mt -103.82 175.14 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' GLN . 14.3 t -95.28 129.74 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' SER . 50.4 mt-30 -34.38 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.77 -51.81 66.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.9 mm-40 -39.05 -63.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.79 HG13 ' CE1' ' A' ' 65' ' ' TYR . 66.2 t -49.77 -48.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -53.53 -63.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.8 m -62.49 -62.97 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 30.5 t90 -37.84 -47.78 1.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.79 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -56.76 -57.47 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -48.2 -57.69 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.08 -41.11 74.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 4.1 mmm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -100.41 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.45 -35.93 75.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -71.21 -59.01 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.72 -44.31 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.58 -42.35 98.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.4 ttp -52.41 -44.77 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.82 -47.83 13.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.0 mt -51.27 -47.14 62.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.56 -38.57 90.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -64.57 -41.58 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.75 -43.5 58.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.6 t80 -64.78 -43.72 92.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 6.8 pt-20 -66.11 -43.38 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 51.5 mmtt -65.25 -43.43 91.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.97 103.31 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.6 mmtt -35.92 -39.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -127.9 169.38 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.7 HD12 HG11 ' A' ' 61' ' ' VAL . 57.3 mt -131.31 130.34 42.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 m -64.47 176.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.62 -59.04 11.47 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.78 -28.46 25.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -59.61 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -52.7 -44.29 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.459 HG12 ' NE2' ' A' ' 58' ' ' GLN . 59.0 mt -61.33 -57.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -43.41 -50.12 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.96 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -38.58 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.74 -47.09 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -50.62 -51.42 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.13 -21.1 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.44 55.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.526 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 59.5 mt -68.17 175.89 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLN . 4.6 m -109.37 145.43 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.459 ' NE2' HG12 ' A' ' 48' ' ' ILE . 37.8 mt-30 -36.98 -43.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLN . 11.3 tp -52.76 -56.98 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' LEU . 10.0 mm-40 -35.5 -59.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG11 HD12 ' A' ' 42' ' ' LEU . 85.7 t -55.33 -54.99 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -47.14 -61.93 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' TRP . 34.4 m -63.57 -63.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t90 -37.9 -48.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.633 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -58.99 -65.76 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' TYR . 36.0 tt0 -36.03 -48.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.26 -59.48 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.661 ' CZ ' ' NE2' ' A' ' 60' ' ' GLN . 63.2 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.0 p -83.62 145.23 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -39.43 -36.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.78 -51.04 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.624 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.9 mt-30 -59.7 -46.62 88.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.29 -41.7 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttp -51.5 -44.06 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.68 -54.2 6.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 56' ' ' LEU . 24.6 mt -49.11 -45.02 42.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -67.97 -40.9 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -59.22 -48.19 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG3' HD13 ' A' ' 50' ' ' LEU . 8.6 mmt180 -66.58 -51.78 52.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.3 t80 -55.95 -55.86 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 4.0 pt-20 -49.46 -31.16 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 62.1 mmtt -82.09 -40.43 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 35' ' ' ARG . 2.3 pt20 -140.27 125.36 18.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -60.38 -14.83 20.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.429 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 46.7 m-85 -149.26 -177.48 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD12 HG11 ' A' ' 61' ' ' VAL . 11.5 mt -151.18 145.13 25.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 m -58.56 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -68.04 -58.45 7.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.682 . . . . 0.0 111.113 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.79 -14.7 36.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 33.4 t0 -69.61 -57.1 5.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NE ' ' HB3' ' A' ' 58' ' ' GLN . 51.8 ttp180 -51.48 -40.68 59.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.43 -55.7 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -48.47 -49.3 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.0 tp -65.36 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -39.56 -30.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -77.14 -42.25 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 50.6 m -59.41 -47.09 86.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.4 -20.53 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.08 10.59 59.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.624 HD21 ' CD ' ' A' ' 28' ' ' GLN . 87.7 mt -88.79 175.28 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLN . 74.2 m -108.49 142.11 39.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' SER . 18.3 mt-30 -34.46 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.4 tp -50.42 -54.06 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.661 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 9.9 mm100 -42.61 -63.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.606 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.5 t -53.88 -55.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.622 HG22 HD22 ' A' ' 67' ' ' ASN . 32.4 m -62.01 -62.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 62.2 t90 -37.69 -46.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.606 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.6 m-85 -63.26 -61.74 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -47.39 -43.88 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.622 HD22 HG22 ' A' ' 63' ' ' THR . 20.8 m-20 -67.93 -22.62 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -166.79 106.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.363 . . . . 0.0 110.82 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -131.87 157.98 42.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.59 160.61 0.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.525 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 p -114.7 -52.38 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -165.4 118.82 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.0 80.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.51 148.76 19.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.51 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 143.99 95.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.653 0.739 . . . . 0.0 110.838 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -17.85 37.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.303 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 154.85 124.1 0.89 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.0 p -126.64 167.12 16.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.65 152.41 31.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.48 139.19 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -116.55 149.86 38.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -122.89 134.85 54.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.08 46.19 1.13 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.73 79.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.336 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -125.21 124.09 40.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.0 p -89.89 50.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 23' ' ' VAL . 42.4 mtm180 -115.64 -55.65 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -48.05 124.88 8.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 21' ' ' ARG . 16.5 m -129.09 135.96 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.485 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 96.4 m-85 -113.54 138.61 49.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 26' ' ' GLU . 73.7 p -80.67 145.08 31.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 25' ' ' THR . 41.8 mm-40 -37.44 -41.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.43 -54.83 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -54.08 -52.7 60.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt -54.15 -48.37 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttp -48.63 -46.79 40.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.59 -42.89 62.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 37.0 mt -57.15 -42.57 81.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.91 -38.23 82.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -62.1 -51.63 67.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG3' HD13 ' A' ' 50' ' ' LEU . 23.4 mmt-85 -61.27 -65.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -41.58 -57.11 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -46.11 -54.48 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -58.77 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -129.22 98.76 5.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -39.24 -44.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -128.61 121.17 28.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.814 HD12 HG11 ' A' ' 61' ' ' VAL . 24.7 mt -80.43 171.76 14.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.6 m -92.87 174.41 7.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.89 -59.13 11.49 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.566 0.698 . . . . 0.0 111.118 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.77 -44.25 2.18 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.04 -62.31 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.7 ttm105 -42.4 -36.52 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.8 mt -69.43 -54.86 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -46.75 -42.12 16.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.721 HD11 HD12 ' A' ' 54' ' ' LEU . 11.1 tp -65.79 -57.25 8.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -47.71 -24.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.64 -31.47 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -72.96 -44.59 60.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.721 HD12 HD11 ' A' ' 50' ' ' LEU . 50.1 mt -88.67 -23.06 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.35 19.77 37.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.639 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 95.2 mt -93.24 175.5 6.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 60' ' ' GLN . 33.0 m -100.4 133.57 44.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 57' ' ' SER . 35.0 mt-30 -35.36 -43.21 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.2 tp -55.33 -45.7 76.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.485 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 15.9 mm-40 -44.31 -64.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.814 HG11 HD12 ' A' ' 42' ' ' LEU . 21.5 t -49.33 -53.46 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -49.98 -61.85 1.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 87.3 m -61.54 -65.49 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.523 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.4 t90 -37.98 -46.13 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.744 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.1 m-85 -57.67 -69.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' TYR . 29.9 mt-30 -36.0 -52.36 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -55.42 -45.02 76.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 65' ' ' TYR . 24.1 mmt180 -60.81 -47.8 84.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' MET . 80.9 mtp180 -41.32 -54.01 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' ARG . 7.5 mmt -36.2 -62.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -59.77 -44.7 93.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -50.14 -43.68 52.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -61.99 175.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -152.44 125.68 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 m -120.42 120.11 35.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -127.78 81.13 0.35 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.96 3.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.322 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.9 t -174.96 107.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.1 t -96.34 113.74 25.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 71.97 42.23 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -119.56 170.1 9.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.31 -170.64 39.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 p -169.96 177.86 4.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.343 . . . . 0.0 110.89 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -170.85 163.46 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.27 139.72 0.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.0 -46.62 1.06 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.69 144.05 0.64 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.662 0.744 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -172.54 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.742 2.295 . . . . 0.0 112.397 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 12' ' ' THR . . . -98.16 39.97 2.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.499 HG22 ' O ' ' A' ' 12' ' ' THR . 14.5 m 36.01 44.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 111.18 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -84.76 154.03 22.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.54 168.71 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.23 143.85 27.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -128.86 -31.79 2.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.47 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -111.34 162.28 15.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -149.76 136.24 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -145.42 112.87 6.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -78.19 86.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.4 p -148.73 152.92 37.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.89 36.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CE1' HD22 ' A' ' 56' ' ' LEU . 25.8 m-85 -101.02 131.34 46.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 26' ' ' GLU . 6.9 p -83.52 154.96 23.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' THR . 35.0 mt-10 -37.19 -48.27 0.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.915 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tp -56.76 -58.33 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -55.39 -51.35 67.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.42 -39.48 76.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.7 ttp -55.77 -45.11 78.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.27 -35.75 52.05 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 15.4 mt -61.68 -43.62 98.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -71.62 -34.17 69.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -62.71 -53.89 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 50' ' ' LEU . 9.1 mmt180 -64.77 -44.53 89.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -62.25 -41.39 98.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -64.52 -54.77 27.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -61.72 -41.28 97.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 41' ' ' TYR . 29.8 tt0 -133.99 91.31 2.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.484 ' HE3' ' CE2' ' A' ' 72' ' ' TRP . 17.3 mmtm -37.33 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.494 ' N ' ' O ' ' A' ' 39' ' ' GLN . 1.7 m-85 -124.04 -179.68 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.897 HD12 HG11 ' A' ' 61' ' ' VAL . 88.4 mt -147.7 132.52 18.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -64.66 171.86 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.52 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -55.67 -59.13 12.26 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.619 0.723 . . . . 0.0 111.148 -179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.52 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.75 -18.06 37.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.352 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -73.76 -65.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -43.95 -35.76 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.6 mt -69.41 -56.18 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -47.05 -49.75 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 54' ' ' LEU . 14.7 tp -60.78 -62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -41.14 -27.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' LEU . 6.9 mt-10 -83.39 -42.09 17.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 30.6 m -57.75 -53.46 57.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.421 ' CD1' HD11 ' A' ' 50' ' ' LEU . 35.2 mt -81.39 -24.51 36.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.09 3.68 56.74 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.494 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.581 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 10.8 mt -75.86 170.72 15.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' GLN . 3.8 m -102.93 141.47 35.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 57' ' ' SER . 46.2 mt-30 -36.4 -42.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.9 tp -54.97 -45.71 74.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 57' ' ' SER . 5.3 mm-40 -46.33 -64.78 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.899 HG13 ' CE1' ' A' ' 65' ' ' TYR . 46.4 t -52.79 -54.32 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -47.12 -63.9 0.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 85.0 m -62.64 -63.58 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 31.7 t90 -37.86 -47.67 1.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.899 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.6 m-85 -60.89 -64.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 65' ' ' TYR . 54.3 mt-30 -34.78 -57.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -57.82 -55.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -50.13 -33.14 17.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.49 -42.72 74.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 33.0 mtm -62.91 -37.42 86.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -82.5 -22.4 35.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.484 ' CE2' ' HE3' ' A' ' 40' ' ' LYS . 11.5 t90 -83.89 -26.47 29.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 74' ' ' LYS . 41.1 mmtt -71.91 102.03 2.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 73' ' ' LYS . 18.2 mmtm 34.32 45.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.7 t -152.6 -177.97 6.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.84 -81.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 165.51 30.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.2 t -98.94 -57.05 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 p -85.46 134.95 34.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -159.85 177.6 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -146.03 176.8 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.31 -173.01 31.51 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -160.14 172.96 16.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.88 0.371 . . . . 0.0 110.86 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -168.27 177.4 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.58 -156.42 7.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 169.63 176.65 39.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -173.36 147.08 1.39 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.634 0.73 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -171.74 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 170.0 -164.01 37.4 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.5 t -153.9 136.27 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 111.14 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -170.71 123.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -55.96 21.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -74.46 108.31 7.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.925 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -96.28 145.4 25.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 52.92 84.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.458 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -130.04 109.51 10.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -128.33 42.7 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.3 p -121.73 129.85 53.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -127.91 103.55 7.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.0 p -113.61 126.61 55.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 t -103.66 38.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' CE1' ' OE1' ' A' ' 60' ' ' GLN . 89.5 m-85 -109.15 137.76 46.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 4.1 p -85.6 151.99 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 40.1 mt-10 -37.42 -38.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.27 -66.24 0.58 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.613 ' HB3' HD11 ' A' ' 56' ' ' LEU . 84.5 mt-30 -47.12 -38.28 11.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.4 mt -70.8 -40.5 72.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.4 ttp -62.78 -37.53 87.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.22 -39.73 11.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -57.9 -45.92 85.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -64.56 -42.39 95.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -53.6 55.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -66.63 -63.06 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.485 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.1 t80 -39.46 -41.47 0.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -67.24 -54.56 19.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mmmt -54.32 -43.84 71.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.2 tt0 -133.23 101.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 39' ' ' GLN . 45.7 mmtt -36.87 -35.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 3.6 m-85 -128.34 -177.07 4.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.737 HD12 HG11 ' A' ' 61' ' ' VAL . 82.2 mt -143.58 137.57 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.8 m -68.48 176.78 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.63 -59.18 11.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.544 0.688 . . . . 0.0 111.126 -179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.2 Cg_endo -69.68 -40.56 5.3 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -52.91 -56.74 13.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -49.74 -40.45 40.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mt -67.79 -62.44 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -38.45 -49.01 1.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' SER . 13.1 tp -62.09 -58.72 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -44.94 -30.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.24 -34.13 61.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' LEU . 5.2 t -69.84 -42.21 73.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 28' ' ' GLN . 86.4 mt -90.09 -28.11 19.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.14 22.66 24.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.467 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.778 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 53.0 mt -97.48 167.95 10.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.922 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 59' ' ' LEU . 74.1 m -93.55 139.04 31.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' SER . 45.7 mt-30 -36.79 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.4 tp -64.75 -55.48 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.506 ' OE1' ' CE1' ' A' ' 24' ' ' PHE . 8.1 mm-40 -37.87 -58.64 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.852 HG13 ' CE1' ' A' ' 65' ' ' TYR . 87.5 t -57.19 -56.32 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -45.87 -62.38 1.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' TRP . 26.6 m -65.39 -62.9 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.497 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 76.4 t90 -37.85 -44.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.852 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.4 m-85 -61.81 -58.52 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -48.89 48.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.05 -18.74 48.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.48 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 33.7 mmt180 -92.04 -48.25 6.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 7.3 mtp-105 -51.99 -43.53 63.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 25.8 ptm -48.95 -53.0 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 70' ' ' MET . 36.0 mtpt -68.43 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -67.28 -35.61 79.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -51.76 -45.94 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -92.64 142.26 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.2 p -81.58 -53.4 6.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.79 84.02 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -22.76 31.34 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.305 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -48.11 -47.15 34.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.8 m -143.67 156.47 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -154.07 138.85 17.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 p -174.49 163.68 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.46 138.15 20.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 t -80.71 136.64 36.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.88 -173.92 47.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 157.98 135.1 1.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' GLY . 7.7 mp0 -36.89 151.29 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.728 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -22.55 31.68 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.23 . . . . 0.0 112.352 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.48 -57.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -147.62 157.33 43.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -74.44 84.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.23 135.41 46.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.29 136.57 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -99.11 142.87 30.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -131.22 152.33 19.96 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -99.77 135.72 40.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -83.74 140.69 31.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.4 p -82.34 156.96 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.9 ttp85 -90.02 -52.3 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' THR . 9.9 t -150.11 124.33 9.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.7 t -56.96 141.49 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -76.29 132.45 39.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 p -78.43 163.0 26.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -45.88 -44.27 14.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 tp -61.79 -64.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -47.5 -47.56 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.6 mt -63.31 -47.15 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 9.0 ttp -46.73 -41.44 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.94 -39.72 16.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 47.5 mt -59.69 -41.5 90.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -67.78 -41.09 83.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -62.84 -59.44 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.855 ' HG3' HD13 ' A' ' 50' ' ' LEU . 14.9 mmm180 -56.49 -46.35 80.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -61.51 -47.84 83.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.1 -54.77 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -55.78 -52.71 63.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.6 tt0 -122.0 95.6 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 16.6 mmmt -34.34 -40.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -139.16 125.06 19.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.81 HD12 HG11 ' A' ' 61' ' ' VAL . 4.8 mt -83.09 148.49 27.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -72.1 -176.4 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.13 13.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.557 0.694 . . . . 0.0 111.153 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.76 -47.39 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.66 -57.28 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -49.73 -46.63 50.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.89 -61.63 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -38.23 -48.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.855 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.3 tp -61.3 -65.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.789 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -36.43 -35.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.074 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -77.29 -42.99 34.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' LEU . 47.8 t -59.35 -44.6 92.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 50' ' ' LEU . 95.9 mt -87.63 -25.95 23.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.25 -5.54 38.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.789 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 23.9 mt -77.55 174.84 10.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 110.925 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.7 t -107.4 156.12 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -47.7 -30.12 3.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 60' ' ' GLN . 59.6 tp -63.68 -61.49 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.9 mm100 -34.69 -59.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG11 HD12 ' A' ' 42' ' ' LEU . 48.3 t -52.14 -55.94 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -64.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 30.6 m -60.51 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 38.6 t90 -38.1 -44.95 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.703 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -62.42 -62.13 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -44.45 -52.49 7.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -58.26 -51.83 68.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -48.77 -49.14 39.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' LYS . 27.0 mtm180 -43.03 -55.24 3.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 69' ' ' ARG . 86.4 mtp -35.72 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' ARG . 13.0 ttmm -86.19 -45.77 11.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.455 ' CE3' ' N ' ' A' ' 73' ' ' LYS . 3.4 t90 -59.78 -53.28 59.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.99 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' N ' ' CE3' ' A' ' 72' ' ' TRP . 11.2 pttm -43.7 144.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.4 tttt -124.68 -56.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 p -86.07 158.71 19.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.09 84.4 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -40.6 5.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.7 p -54.1 -43.75 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.5 p -147.45 144.46 28.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.515 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -162.58 155.66 19.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.837 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -166.52 169.69 13.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -135.56 -88.06 0.25 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.457 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 4' ' ' GLY . 23.4 m 37.66 52.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -75.78 -178.5 4.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.46 157.64 27.33 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.56 79.86 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -107.57 81.66 1.15 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.661 0.744 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -172.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.23 58.87 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.5 p -137.22 171.21 14.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.183 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.49 40.1 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.68 102.65 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.072 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -132.2 150.27 52.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLY . 25.7 ttmt -112.63 -57.53 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . . . 34.41 -112.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -109.67 148.04 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.37 38.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.7 m -113.92 45.18 1.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.825 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -95.39 -57.25 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.7 p -64.14 125.58 24.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.93 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.63 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 68.6 m-85 -76.62 151.4 36.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 69.8 p -103.66 148.17 26.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.163 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 43.4 mt-10 -36.06 -41.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 27' ' ' LEU . 8.3 tt -67.08 -58.56 4.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -50.28 -44.94 54.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.95 -47.04 86.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.4 ttp -52.96 -42.66 65.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.58 -55.73 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.3 mt -44.45 -47.29 9.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.7 -41.79 87.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.97 -52.71 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -67.19 -64.84 0.77 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 4.2 t80 -37.56 -44.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -62.97 -49.45 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -61.03 -50.15 74.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' TYR . 5.6 tt0 -126.61 98.76 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' GLN . 22.9 mmtt -36.2 -31.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' GLN . 29.0 m-85 -132.31 -178.51 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD12 HG11 ' A' ' 61' ' ' VAL . 47.9 mt -145.14 142.25 29.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.3 m -69.15 -175.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -63.21 -59.17 12.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 0.0 111.189 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HA ' HD12 ' A' ' 48' ' ' ILE . 53.7 Cg_endo -69.76 -43.88 2.4 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.14 -60.16 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -46.73 -41.85 15.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.584 HD12 ' HA ' ' A' ' 45' ' ' PRO . 52.9 mt -62.97 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' SER . 14.5 tp -64.02 -60.92 2.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -43.2 -29.85 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -78.11 -35.29 49.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' LEU . 16.1 t -68.45 -42.56 78.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.808 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.9 mt -88.96 -25.95 21.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.59 31.67 11.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -103.35 176.31 5.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.0 m -99.62 136.64 39.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.459 ' NE2' HG12 ' A' ' 48' ' ' ILE . 80.3 mt-30 -37.7 -42.9 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.2 tp -56.93 -43.6 81.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.63 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 14.6 mm100 -45.07 -58.9 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.904 HG13 ' CE1' ' A' ' 65' ' ' TYR . 99.3 t -55.3 -54.44 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -46.23 -65.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.7 m -63.81 -61.31 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.494 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 71.1 t90 -37.94 -47.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.904 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.4 m-85 -59.54 -55.71 31.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.37 -51.99 17.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' C ' ' HG2' ' A' ' 70' ' ' MET . 31.4 m-80 -56.68 -20.79 23.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 6.2 mmp_? -91.67 -41.66 10.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' NE ' ' CE2' ' A' ' 41' ' ' TYR . 16.2 mtt85 -62.06 -32.59 73.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.432 ' HG2' ' C ' ' A' ' 67' ' ' ASN . 9.8 ptm -59.99 -45.35 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -78.16 -27.48 48.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.44 ' CE3' ' HG3' ' A' ' 73' ' ' LYS . 7.5 t90 -72.06 -42.84 65.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HG3' ' CE3' ' A' ' 72' ' ' TRP . 46.6 mttt -57.78 -41.77 82.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -100.79 90.96 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.1 t -85.49 86.42 7.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.95 155.89 41.59 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -27.56 26.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.7 m -85.82 142.51 28.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.3 m -114.73 147.6 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.888 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -172.82 175.97 3.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.828 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.4 p -163.23 173.2 13.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.86 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.7 -175.54 25.12 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 m -160.79 160.8 31.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.894 0.378 . . . . 0.0 110.819 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.7 p -128.12 172.56 10.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 -157.99 7.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.29 -171.3 16.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -160.18 159.45 26.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.678 0.752 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -175.0 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.319 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.23 -155.75 6.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -130.03 150.32 51.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -143.64 118.65 10.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.948 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.58 140.57 25.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -65.37 166.37 10.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.0 mtmt -44.95 130.8 7.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -164.69 81.16 0.12 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -126.45 5.8 6.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 19' ' ' ARG . 4.0 ptm85 -115.41 153.69 30.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 t -86.61 131.35 34.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -124.49 -62.49 1.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.9 p -94.69 122.55 37.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -88.38 143.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.541 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 29.9 m-85 -86.93 140.45 29.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -89.32 168.7 12.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -54.31 -35.63 62.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 tp -70.53 -59.26 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -54.29 -46.38 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.9 mt -60.75 -48.62 80.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.9 ttp -46.11 -42.48 13.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.27 -49.42 6.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 19.0 mt -53.98 -33.01 55.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -76.33 -37.13 57.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -65.97 -37.31 85.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 34.1 mmt-85 -76.89 -48.92 16.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -59.37 -42.9 92.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -65.76 -32.46 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -75.46 -55.4 5.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.9 tt0 -124.39 108.87 12.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.5 mmtm -36.58 -41.17 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -134.44 142.66 47.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD12 HG11 ' A' ' 61' ' ' VAL . 30.7 mt -97.23 125.53 41.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.973 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -53.3 161.42 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -39.52 -59.2 1.69 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.625 0.726 . . . . 0.0 111.166 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.78 -44.13 2.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.35 -60.71 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -47.4 -38.61 13.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 45' ' ' PRO . 68.6 mt -66.58 -57.77 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -44.31 -41.39 5.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 53' ' ' SER . 12.6 tp -68.14 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.65 -27.98 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.42 -40.48 29.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' LEU . 3.4 m -57.88 -49.56 76.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.56 -28.33 20.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.39 29.06 9.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.594 HD22 ' NE2' ' A' ' 60' ' ' GLN . 48.3 mt -93.93 -178.58 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.825 0.345 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' LEU . 26.9 t -103.95 136.06 44.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -38.32 -29.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 57' ' ' SER . 26.7 tp -67.3 -50.54 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.594 ' NE2' HD22 ' A' ' 56' ' ' LEU . 36.0 mt-30 -39.6 -61.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.972 HG11 HD12 ' A' ' 42' ' ' LEU . 24.2 t -55.82 -51.83 55.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -50.34 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.592 HG22 ' ND2' ' A' ' 67' ' ' ASN . 31.6 m -61.92 -61.04 2.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 32.3 t90 -38.11 -47.28 1.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.63 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.53 -69.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -40.51 -46.66 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.592 ' ND2' HG22 ' A' ' 63' ' ' THR . 49.2 m-80 -63.22 -34.9 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' TYR . 19.9 mmt180 -72.36 -33.74 67.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 58.2 mtp85 -62.0 -30.4 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 13.4 mmt -59.49 -37.4 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.1 tttp -87.71 -49.31 7.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -49.6 -40.59 39.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -64.14 138.65 58.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -66.73 95.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.0 t -152.55 168.33 25.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.53 158.83 28.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -27.35 26.34 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.3 m -56.73 -56.0 27.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -55.25 126.17 23.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -168.06 169.18 11.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -162.48 159.14 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.05 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -42.01 -50.07 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -108.55 140.25 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.14 84.88 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.75 -171.61 40.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.94 148.16 24.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.654 0.74 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 173.54 10.83 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.644 2.229 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.45 56.05 0.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.523 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.9 t -103.52 126.46 50.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 111.157 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -93.78 111.51 23.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.18 97.99 6.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.83 157.73 38.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -98.8 -61.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.02 80.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -82.5 163.84 21.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 110.914 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -132.14 166.56 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.7 m -91.09 113.99 26.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.7 tpt85 -95.25 -57.94 2.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 t -82.09 140.8 33.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.62 163.75 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -91.74 135.0 34.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLU . 46.5 p -77.48 146.53 36.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' THR . 18.9 mt-10 -37.87 -44.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.65 -53.3 53.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.73 ' CD ' HD21 ' A' ' 56' ' ' LEU . 31.4 mm-40 -55.76 -45.06 78.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.35 -40.17 96.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 11.3 ttp -57.64 -37.85 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.18 -50.4 5.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.435 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.1 mt -54.07 -38.09 64.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.813 0.34 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -73.33 -35.85 66.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.7 -34.36 77.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 50' ' ' LEU . 14.6 mmt180 -79.46 -44.44 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 4.2 t80 -64.72 -50.93 64.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 17.0 pt-20 -53.81 -47.17 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 17.9 mtpp -64.16 -56.68 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -121.95 110.63 16.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -41.96 -42.65 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -126.98 157.7 38.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.839 HD12 HG11 ' A' ' 61' ' ' VAL . 60.0 mt -114.84 146.95 40.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -72.69 157.5 37.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -41.88 -59.1 2.75 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.549 0.69 . . . . 0.0 111.128 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 44' ' ' THR . 53.8 Cg_endo -69.8 -40.06 5.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.332 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.7 m-20 -52.5 -66.01 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 47' ' ' ARG . 18.5 ttp-105 -38.1 -36.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.2 mt -70.07 -54.33 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -44.68 -46.51 10.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD13 ' HG3' ' A' ' 35' ' ' ARG . 9.9 tp -65.1 -57.73 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -46.5 -25.74 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -84.01 -29.97 26.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' LEU . 22.2 t -68.64 -44.85 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.3 mt -93.79 -28.45 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.52 30.17 7.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.73 HD21 ' CD ' ' A' ' 28' ' ' GLN . 14.9 mt -96.55 170.59 9.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.333 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' LEU . 9.4 m -97.58 131.78 43.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' SER . 49.8 mt-30 -34.24 -33.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' SER . 33.9 tp -61.22 -51.9 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 16.3 mm-40 -41.24 -59.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.839 HG11 HD12 ' A' ' 42' ' ' LEU . 27.1 t -57.21 -56.23 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -46.55 -62.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 92.6 m -64.76 -62.87 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.556 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 76.6 t90 -37.81 -48.05 1.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.762 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.1 m-85 -58.34 -62.26 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -45.03 -56.13 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -52.04 -44.44 64.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.556 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 16.1 mmm180 -59.06 -46.69 87.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 13.0 mtp-105 -47.58 -37.83 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.4 mtt -54.5 -58.91 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -66.52 -41.47 88.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 33.8 t90 -53.28 -42.02 66.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -42.72 121.43 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.11 104.78 16.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -111.98 85.03 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -103.51 -83.06 1.68 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -0.59 7.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.7 p 47.53 43.98 16.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.0 t -98.03 122.07 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -72.48 -59.97 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.825 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 54.3 43.95 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.07 -43.26 1.41 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -49.97 145.4 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.5 p -169.33 168.75 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.76 175.09 45.25 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.36 61.21 0.36 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -64.11 143.65 98.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 176.02 7.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.09 137.47 25.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.536 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.9 m -117.75 -48.6 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 111.145 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -111.29 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.18 92.12 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 16' ' ' LYS . 11.2 ptpp? -125.68 -45.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 35.5 tptt -168.61 121.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 154.75 89.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.6 tpp85 -113.37 117.93 33.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 19' ' ' ARG . 10.1 ptp180 -129.74 88.47 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -129.54 91.05 3.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.16 84.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -93.51 146.45 23.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 23' ' ' VAL . 8.8 t -115.93 34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -116.5 140.77 49.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.9 p -85.41 160.11 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -48.24 -41.65 28.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.68 -56.69 9.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.435 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.0 mt-30 -52.22 -49.66 63.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.78 -49.47 76.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 49.7 ttp -49.97 -46.52 52.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.62 ' HA3' HD11 ' A' ' 54' ' ' LEU . . . -66.9 -48.11 62.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 49.2 mt -57.86 -41.5 82.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.728 0.299 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -68.53 -46.22 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -57.05 -43.37 81.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.598 ' HG3' HD13 ' A' ' 50' ' ' LEU . 27.6 mmt-85 -73.46 -46.92 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 36' ' ' PHE . 4.2 t80 -60.26 -27.28 67.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -73.31 -53.58 10.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -65.7 -49.31 68.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.798 HE21 HD23 ' A' ' 42' ' ' LEU . 7.3 tt0 -117.8 103.82 10.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -47.91 -42.1 26.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.8 117.99 15.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.798 HD23 HE21 ' A' ' 39' ' ' GLN . 15.1 mt -76.76 144.3 39.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 m -66.83 -177.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -59.28 -59.13 14.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.573 0.701 . . . . 0.0 111.179 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.523 ' N ' HG22 ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.8 -44.38 2.08 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -45.41 -63.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 59.4 ttp180 -42.36 -42.98 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 45' ' ' PRO . 64.9 mt -61.34 -62.86 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -40.61 -43.16 1.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 ' HG3' ' A' ' 35' ' ' ARG . 12.5 tp -67.67 -65.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -38.27 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 50' ' ' LEU . 29.3 mm-40 -81.21 -42.43 20.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' LEU . 73.8 m -55.92 -50.37 70.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.62 HD11 ' HA3' ' A' ' 31' ' ' GLY . 96.1 mt -83.48 -24.22 31.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 103.0 -3.83 48.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.559 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 62.7 mt -74.88 175.92 7.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.3 m -105.21 165.55 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -54.65 -36.56 64.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 60' ' ' GLN . 28.2 tp -56.95 -60.48 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 59' ' ' LEU . 13.7 mm-40 -34.44 -64.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.97 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.718 HG11 HD12 ' A' ' 42' ' ' LEU . 81.6 t -53.59 -56.6 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 40.2 tttt -46.96 -64.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 m -60.94 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 26.7 t90 -37.86 -48.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.615 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.1 m-85 -58.03 -57.08 14.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -47.13 -57.0 5.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -54.96 -19.6 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 22.5 mmm180 -94.14 -27.7 16.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -78.73 -22.99 45.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 5.7 ptt? -71.48 -45.91 61.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 70' ' ' MET . 56.7 tttt -79.78 -22.87 42.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -75.33 -41.17 57.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -58.04 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -106.54 125.57 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.6 t -152.82 116.47 4.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.47 146.5 4.35 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -5.15 15.52 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.335 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.5 t -61.99 118.11 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 80' ' ' GLY . 42.3 p -166.9 134.98 2.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 p -174.1 177.72 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -137.92 172.15 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 174.03 46.43 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -135.69 178.44 7.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -169.67 172.44 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.14 -142.01 5.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.6 -178.07 28.58 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -167.19 144.06 3.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 171.76 13.89 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.28 -148.77 7.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.6 m -132.31 116.98 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 84.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.86 -52.23 8.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tttp 40.36 40.38 0.84 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -128.29 76.63 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.8 139.41 5.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.502 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' NE ' ' HD2' ' A' ' 19' ' ' ARG . 1.0 OUTLIER -105.71 -46.25 4.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.833 0.349 . . . . 0.0 110.855 -179.815 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HD2' ' NE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -115.37 -60.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -174.76 125.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.44 -43.66 5.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.71 147.55 25.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 23' ' ' VAL . 11.6 t -124.43 37.46 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 59.5 m-85 -105.18 133.39 50.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 p -82.71 164.04 20.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -49.71 -41.55 43.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.7 tp -61.52 -55.9 25.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.831 ' HB3' HD21 ' A' ' 56' ' ' LEU . 1.7 mm-40 -55.3 -53.82 51.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.4 mt -59.65 -39.82 85.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.8 ttp -48.89 -41.01 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.24 -48.8 5.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD11 HD13 ' A' ' 56' ' ' LEU . 43.5 mt -48.38 -44.1 34.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.747 0.308 . . . . 0.0 110.854 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -67.64 -41.98 83.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -61.01 -57.91 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' PHE . 42.2 mmt-85 -59.42 -65.07 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -37.07 -56.23 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.66 -54.64 30.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -57.15 -34.19 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -143.45 116.6 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -54.14 -15.0 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' C ' ' HG ' ' A' ' 42' ' ' LEU . 3.4 m-85 -150.97 -176.1 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.76 HD12 HG11 ' A' ' 61' ' ' VAL . 8.3 mt -149.36 137.79 20.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -58.37 174.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.92 -59.16 9.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.599 0.714 . . . . 0.0 111.126 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.8 -39.94 5.84 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.642 2.228 . . . . 0.0 112.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.72 -59.26 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.3 ttm105 -52.56 -31.25 35.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 45' ' ' PRO . 79.9 mt -72.44 -47.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -55.74 -45.1 78.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.93 -57.0 11.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -81.21 -34.6 32.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.1 m -65.85 -50.0 66.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 28' ' ' GLN . 33.1 mt -83.77 -29.03 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.45 11.62 41.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.831 HD21 ' HB3' ' A' ' 28' ' ' GLN . 14.6 mt -81.09 -177.91 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' GLN . 5.5 t -109.42 136.64 48.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' SER . 39.0 mt-30 -34.36 -46.01 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.48 -45.88 73.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.497 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.2 mm-40 -44.77 -67.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.798 HG13 ' CE1' ' A' ' 65' ' ' TYR . 60.5 t -48.71 -50.27 13.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -50.63 -62.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 88.2 m -63.25 -63.17 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.503 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 65.8 t90 -37.72 -44.43 0.72 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.798 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -62.34 -65.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.96 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -38.38 -53.91 1.49 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -60.89 -47.4 86.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 3.9 mmp_? -48.71 -47.43 41.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -50.65 -46.48 58.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.5 mmt -49.05 -51.11 33.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -71.12 -38.4 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -59.57 -27.06 65.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -83.79 179.11 7.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.479 ' HG2' ' N ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -123.28 147.92 46.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.479 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 70.5 m -98.4 -58.66 1.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 164.57 -95.16 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -41.36 4.32 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -38.59 157.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.827 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 m -113.3 -58.91 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -161.06 176.99 10.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 0.0 110.839 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t 69.12 42.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.14 135.96 8.4 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.43 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -173.94 169.57 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -170.71 171.91 6.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.06 -171.16 32.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 128.48 82.29 0.34 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -112.56 147.52 37.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 174.2 9.83 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.51 83.17 1.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.4 p -111.86 100.41 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 111.084 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -164.67 152.48 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.61 167.72 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -171.54 153.96 3.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -115.55 -56.54 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.92 -149.51 5.06 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.542 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -86.51 132.17 33.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.339 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.3 ttt-85 -149.79 121.46 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 t -128.24 82.19 2.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' HE ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -48.26 -19.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 21' ' ' ARG . 29.7 p -111.66 168.8 9.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.629 ' O ' HG12 ' A' ' 23' ' ' VAL . 22.5 t -114.96 36.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -83.23 141.71 31.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.1 p -95.89 148.83 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -39.41 -37.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tp -68.08 -48.03 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' CD ' HD21 ' A' ' 56' ' ' LEU . 93.5 mt-30 -61.94 -47.93 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.58 -45.2 91.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 54.2 ttp -55.16 -42.99 73.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.91 -54.65 5.23 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.429 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.879 HD11 ' CD1' ' A' ' 56' ' ' LEU . 15.9 mt -46.57 -42.28 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.953 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -66.02 -50.14 65.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -48.72 -50.13 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.51 ' HG2' HD13 ' A' ' 50' ' ' LEU . 8.0 mpt_? -68.35 -62.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.0 t80 -41.4 -39.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.29 -46.53 73.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -42.03 97.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.95 92.02 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 26.4 mmtm -33.9 -40.39 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -123.66 159.44 29.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD12 HG11 ' A' ' 61' ' ' VAL . 73.5 mt -124.56 158.81 32.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.5 t -82.97 165.62 19.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.99 -59.03 8.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.606 0.717 . . . . 0.0 111.167 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.515 ' N ' HG22 ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.78 -34.65 14.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.99 -57.68 11.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -43.93 -41.06 5.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 45' ' ' PRO . 55.7 mt -64.25 -55.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -47.53 -50.51 23.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD13 ' HG2' ' A' ' 35' ' ' ARG . 14.1 tp -61.06 -57.69 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -44.7 -32.86 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.45 -34.7 60.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.1 t -66.27 -45.37 80.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 81.5 mt -86.59 -27.27 23.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.11 29.47 10.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.879 ' CD1' HD11 ' A' ' 32' ' ' LEU . 89.8 mt -102.94 174.72 5.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.1 m -97.7 142.15 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -40.9 -40.81 1.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.7 tp -58.3 -43.27 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -47.6 -63.03 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.681 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.7 t -53.9 -40.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -59.16 -62.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 64' ' ' TRP . 54.7 m -66.94 -58.98 3.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.579 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 22.2 t90 -37.87 -48.99 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.681 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.3 m-85 -58.69 -65.47 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 65' ' ' TYR . 33.8 tt0 -36.99 -42.79 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -70.82 -51.57 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 1.4 mmp_? -46.68 -50.88 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -46.15 -44.91 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 54.3 mtt -50.73 -42.08 56.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -48.4 23.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -52.61 -44.23 65.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -43.76 140.77 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.5 OUTLIER -54.68 158.28 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' LYS . 4.1 t 36.07 41.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.53 -171.46 48.1 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 139.01 39.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.2 t -71.88 125.75 27.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.1 p -151.48 148.48 28.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.803 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.524 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 69.72 43.23 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -83.0 171.35 13.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.01 -152.29 7.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -170.54 159.5 6.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.927 0.394 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -128.03 177.8 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.81 175.61 42.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.51 -129.61 1.38 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 8.5 mp0 49.11 54.39 16.05 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 53.5 Cg_endo -69.76 -168.4 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.89 169.11 54.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.4 m -162.61 131.8 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -94.51 145.44 24.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.95 123.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 114.31 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -149.86 143.91 25.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.929 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -161.82 42.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.469 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -126.94 135.6 51.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -137.41 163.36 31.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.2 p -94.8 147.7 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -59.59 95.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.5 p -143.5 128.2 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.9 p -123.6 134.99 64.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.599 ' CE1' ' NE2' ' A' ' 60' ' ' GLN . 52.5 m-85 -106.84 165.35 11.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -100.73 155.18 18.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -45.51 -42.29 10.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.31 -54.52 23.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.492 ' HB3' HD11 ' A' ' 56' ' ' LEU . 65.9 mt-30 -53.47 -48.38 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.01 -46.67 89.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.98 -44.85 67.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.11 -46.89 20.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 26.0 mt -51.42 -49.66 61.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -63.15 -42.96 99.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.09 -48.89 70.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG3' HD13 ' A' ' 50' ' ' LEU . 10.6 mmt180 -70.62 -65.66 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.9 t80 -37.32 -49.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -53.13 -51.02 63.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -65.25 -58.99 4.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -110.49 93.66 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -39.69 -37.44 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -138.37 116.32 11.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.589 HD12 HG11 ' A' ' 61' ' ' VAL . 13.5 mt -74.28 178.17 5.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 m -102.3 169.86 8.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -50.57 -59.15 7.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.154 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 53.3 Cg_endo -69.79 -46.09 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.31 -55.78 14.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -44.05 -38.32 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.7 mt -67.83 -59.2 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -41.66 -50.36 4.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 53' ' ' SER . 15.2 tp -63.1 -60.41 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -42.9 -30.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -76.81 -35.74 57.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . 45.7 m -63.23 -46.51 86.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 28' ' ' GLN . 20.7 mt -88.19 -25.26 23.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.99 33.91 9.3 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.492 HD11 ' HB3' ' A' ' 28' ' ' GLN . 73.7 mt -100.66 177.68 4.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.76 0.314 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 60' ' ' GLN . 4.2 m -99.88 130.67 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' SER . 57.3 mt-30 -34.29 -34.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 57' ' ' SER . 52.9 tp -62.56 -49.26 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.599 ' NE2' ' CE1' ' A' ' 24' ' ' PHE . 13.6 mm-40 -41.27 -56.56 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.607 HG13 ' CE1' ' A' ' 65' ' ' TYR . 71.6 t -54.58 -58.46 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -46.83 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.5 m -62.06 -64.98 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 37.7 t90 -37.87 -45.05 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.607 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.0 m-85 -60.66 -59.2 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -40.72 -60.44 1.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -57.0 -49.05 76.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -47.76 -46.5 30.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -48.72 -55.4 11.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 4.3 mmm -42.12 -60.86 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -46.74 84.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 8.9 t90 -51.53 -46.96 63.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -47.52 126.16 9.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -85.62 109.38 18.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p -55.57 -52.82 62.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.32 71.76 0.54 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 91.03 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.5 t -119.19 160.84 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.3 p -88.25 142.34 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' SER . 10.7 p -103.74 -33.82 8.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.836 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.3 p 37.25 42.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.04 -152.85 16.94 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.478 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m 53.53 46.8 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 m -152.19 113.87 4.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 -109.91 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 105.4 143.38 11.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 28.7 tt0 -146.04 140.16 15.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.663 0.744 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.4 Cg_endo -69.8 -171.83 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.283 . . . . 0.0 112.299 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.91 140.11 2.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -80.53 168.16 19.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.348 . . . . 0.0 111.173 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.31 157.55 34.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.98 144.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -101.9 85.41 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.99 85.74 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 41.39 77.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 29.1 mtm105 -46.4 117.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -122.84 49.25 1.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m 55.33 43.17 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.817 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.32 -15.92 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.3 p -82.83 128.03 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 38.1 t -142.91 127.62 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -78.43 165.43 23.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 26' ' ' GLU . 60.3 p -103.75 143.01 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 25' ' ' THR . 47.3 mt-10 -35.94 -43.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -63.11 -59.42 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.606 ' HB3' HD11 ' A' ' 56' ' ' LEU . 88.5 mt-30 -51.41 -46.02 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.4 mt -61.7 -44.11 97.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.6 ttp -53.04 -44.6 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.18 -43.72 46.59 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 35.2 mt -54.2 -46.33 72.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.63 -40.39 94.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -49.85 73.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.645 ' HG3' HD22 ' A' ' 50' ' ' LEU . 16.2 mmt180 -64.53 -50.64 66.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.452 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.3 t80 -59.29 -44.97 92.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -56.48 -54.74 42.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.74 -57.67 8.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' HG2' ' C ' ' A' ' 41' ' ' TYR . 30.3 tt0 -110.25 95.92 5.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -43.07 -35.7 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.438 ' C ' ' HG2' ' A' ' 39' ' ' GLN . 2.5 m-85 -137.11 110.09 7.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.674 HD12 HG11 ' A' ' 61' ' ' VAL . 36.3 mt -71.39 147.82 47.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -74.44 174.84 8.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -56.68 -59.06 13.44 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 111.142 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 53.6 Cg_endo -69.78 -32.9 17.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.678 2.252 . . . . 0.0 112.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.14 -59.07 5.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.3 ttm105 -44.82 -37.16 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.88 -58.98 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -42.31 -50.65 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.645 HD22 ' HG3' ' A' ' 35' ' ' ARG . 14.2 tp -58.74 -61.41 2.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -41.52 -31.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.097 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.25 -40.79 58.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 50' ' ' LEU . 33.1 t -61.28 -45.26 95.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 28' ' ' GLN . 47.7 mt -89.67 -25.31 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.49 31.81 11.09 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 28' ' ' GLN . 78.3 mt -100.39 -179.85 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.821 0.344 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 60' ' ' GLN . 18.4 m -104.67 133.31 49.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' SER . 36.2 mt-30 -36.01 -39.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.74 -46.84 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' SER . 15.2 mm-40 -45.72 -68.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.674 HG11 HD12 ' A' ' 42' ' ' LEU . 6.7 t -45.22 -48.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -53.5 -61.65 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' TRP . 89.6 m -63.68 -62.81 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 20.8 t90 -37.81 -44.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.409 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.7 m-85 -61.82 -57.63 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -51.03 -56.13 14.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -52.88 -45.07 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -58.07 -47.35 83.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 13.3 mtp-105 -45.8 -49.02 15.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 29.8 mtt -45.0 -48.74 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -74.84 -44.12 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -50.45 -48.4 56.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 mtpt -66.36 105.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -88.24 37.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -114.18 87.26 2.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.38 -158.17 8.33 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 170.15 17.25 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 38.4 m -53.24 162.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' GLY . 13.8 t -106.51 146.09 31.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -99.6 121.14 40.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 110.858 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -66.53 -54.67 21.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.53 -171.84 22.75 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -156.33 162.27 40.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.891 0.377 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -171.1 169.34 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.81 177.18 19.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.95 166.15 25.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.528 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.06 145.13 40.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.649 0.737 . . . . 0.0 110.909 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.97 15.31 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.718 2.279 . . . . 0.0 112.383 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.41 127.99 1.24 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.7 m -45.69 153.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -105.69 -51.72 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -168.69 151.93 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.083 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -85.2 121.24 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -46.22 -45.56 17.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.13 137.72 4.68 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -104.71 142.64 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.5 -52.72 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -72.04 121.1 18.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -72.32 90.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 22' ' ' THR . 8.8 t -74.22 92.3 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.6 m -93.14 74.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.505 ' CE2' HD11 ' A' ' 32' ' ' LEU . 2.4 m-85 -119.77 133.49 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.646 HG23 ' H ' ' A' ' 28' ' ' GLN . 9.3 t -77.39 152.24 34.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -41.06 -33.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -71.92 -66.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.646 ' H ' HG23 ' A' ' 25' ' ' THR . 20.8 mt-30 -49.69 -33.16 15.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 24' ' ' PHE . 21.1 mt -70.52 -44.79 66.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.6 ttp -58.8 -40.64 84.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -69.68 -50.46 30.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 24' ' ' PHE . 12.7 mt -42.88 -45.8 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.727 0.298 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.73 -47.77 79.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -56.01 -62.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.822 ' HG3' HD13 ' A' ' 50' ' ' LEU . 10.5 mmp_? -50.37 -56.81 9.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.3 t80 -52.73 -41.1 63.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.75 -47.69 83.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -60.59 -52.32 65.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' TYR . 3.6 tt0 -126.1 102.23 7.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -37.56 -28.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' GLN . 0.7 OUTLIER -153.46 114.79 4.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.747 HD12 HG11 ' A' ' 61' ' ' VAL . 2.9 mt -70.69 157.71 37.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -77.52 176.29 9.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.806 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -52.2 -59.03 9.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.543 0.687 . . . . 0.0 111.135 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.78 -45.17 1.68 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.93 -56.24 9.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 58' ' ' GLN . 37.0 ttp180 -46.96 -36.78 8.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 45' ' ' PRO . 73.1 mt -68.81 -60.73 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -38.59 -48.57 1.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.822 HD13 ' HG3' ' A' ' 35' ' ' ARG . 8.6 tp -65.35 -60.8 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.949 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -42.92 -27.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.82 -33.99 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . 60.2 m -74.58 -44.88 48.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.593 HD12 HD11 ' A' ' 50' ' ' LEU . 35.7 mt -84.36 -26.77 28.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.22 33.18 6.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.949 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 35.9 mt -108.54 162.64 13.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLN . 58.8 m -96.54 138.11 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 47' ' ' ARG . 61.6 mt-30 -34.4 -35.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 57' ' ' SER . 30.4 tp -60.58 -50.76 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.0 mm-40 -39.87 -70.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.747 HG11 HD12 ' A' ' 42' ' ' LEU . 48.5 t -46.65 -54.36 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -43.82 -48.08 8.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 64' ' ' TRP . 85.9 m -78.02 -64.73 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.408 ' C ' ' O ' ' A' ' 63' ' ' THR . 36.7 t90 -37.48 -50.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.608 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.2 m-85 -63.76 -72.15 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 65' ' ' TYR . 8.6 mm-40 -34.53 -54.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.1 -41.02 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 65' ' ' TYR . 13.7 mmm180 -62.45 -57.35 11.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -40.12 -53.44 2.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 14.0 mtt -39.98 -53.05 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -70.44 -44.13 68.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -49.36 -45.21 45.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -83.3 106.83 15.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -79.59 103.21 9.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.1 p -88.86 136.05 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -109.24 -76.41 0.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 143.71 51.64 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.72 2.28 . . . . 0.0 112.305 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.8 m -150.33 133.25 16.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.9 m -144.07 167.44 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.503 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -108.15 140.32 41.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -93.56 -61.73 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.05 128.48 6.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 6' ' ' SER . 23.1 t -98.87 92.66 5.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.906 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 5' ' ' SER . 2.6 m 34.44 45.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.23 118.82 3.03 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.64 -168.87 41.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.62 148.74 15.43 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.63 0.729 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.9 4.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.49 123.95 1.91 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -84.15 -179.16 7.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 111.105 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -170.37 159.67 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.31 135.6 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.85 25.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -66.45 173.28 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.93 114.34 2.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.7 68.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 110.897 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -121.15 140.81 51.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -96.35 110.31 22.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 67.4 mtp85 -107.2 -54.93 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.65 132.82 41.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.475 HG22 ' N ' ' A' ' 24' ' ' PHE . 7.4 p -105.55 164.94 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' N ' HG22 ' A' ' 23' ' ' VAL . 86.1 m-85 -87.47 146.49 25.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 p -75.68 158.59 32.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -49.79 -42.64 47.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.8 -55.3 20.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.572 ' OE1' HD11 ' A' ' 56' ' ' LEU . 40.7 mm-40 -53.14 -47.52 68.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.7 -39.01 92.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 25.1 ttp -59.19 -38.38 79.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.97 -42.24 8.23 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.5 mt -60.42 -48.26 82.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.45 -39.97 95.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -61.9 -55.45 29.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.535 ' HG3' HD13 ' A' ' 50' ' ' LEU . 29.7 mmt180 -54.05 -64.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.483 ' CD2' ' CD2' ' A' ' 65' ' ' TYR . 2.9 t80 -46.0 -58.07 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -44.4 -49.87 9.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -62.34 -54.4 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -125.07 123.43 39.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HD2' ' CE2' ' A' ' 72' ' ' TRP . 26.8 mmtt -55.59 -20.59 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.574 ' CE2' ' HD3' ' A' ' 69' ' ' ARG . 12.1 m-85 -147.41 173.13 12.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.595 HD12 HG11 ' A' ' 61' ' ' VAL . 12.1 mt -134.64 139.48 45.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.7 t -61.51 172.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.515 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.26 -59.16 7.01 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.581 0.705 . . . . 0.0 111.125 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 44' ' ' THR . 54.1 Cg_endo -69.69 -45.86 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.679 2.253 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -42.83 -56.31 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.823 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -54.58 -37.52 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.03 -57.26 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -43.93 -51.87 7.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.535 HD13 ' HG3' ' A' ' 35' ' ' ARG . 7.0 tp -60.48 -63.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 56' ' ' LEU . . . -41.39 -31.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.08 -38.56 27.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' LEU . 67.3 m -58.11 -49.46 76.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.845 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.7 mt -87.41 -20.17 27.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.74 2.72 57.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.572 HD11 ' OE1' ' A' ' 28' ' ' GLN . 38.6 mt -74.18 177.04 6.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.332 . . . . 0.0 110.913 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.5 t -108.62 155.59 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -51.0 -28.24 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.2 tp -66.49 -52.74 42.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -38.98 -60.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.65 HG13 ' CE1' ' A' ' 65' ' ' TYR . 78.8 t -53.12 -56.63 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -45.88 -65.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.1 m -61.1 -63.49 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 60.1 t90 -37.84 -44.83 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.65 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.9 m-85 -64.01 -63.47 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' TYR . 4.2 tp60 -36.5 -56.37 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -51.31 -38.13 51.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 -74.3 -37.16 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.826 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HD3' ' CE2' ' A' ' 41' ' ' TYR . 42.0 mtm180 -56.52 -42.16 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.9 mmt -46.06 -55.25 7.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -64.03 -44.34 92.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.414 ' CE2' ' HD2' ' A' ' 40' ' ' LYS . 29.4 t90 -53.89 -41.0 67.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -79.68 141.56 36.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -126.8 177.22 6.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.9 m -86.43 -56.97 3.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.429 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . 148.05 -62.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 54.0 Cg_endo -69.69 114.93 3.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.749 2.299 . . . . 0.0 112.368 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.4 m -158.56 166.03 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 t 55.28 42.17 30.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -120.23 147.21 45.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -134.95 142.12 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.57 72.76 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.8 m -159.67 176.92 11.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -140.35 124.2 17.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.17 158.8 9.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.68 158.25 8.94 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -142.51 145.16 33.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.905 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -170.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.231 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.23 108.5 0.8 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.49 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 p -129.24 95.87 4.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 111.156 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -171.36 111.06 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -167.7 141.8 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.078 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -128.47 87.58 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.94 176.09 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.26 86.4 1.77 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.453 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -159.54 135.41 8.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.341 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -107.99 130.07 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.7 m -110.65 116.8 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -114.67 -46.85 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.2 p -55.69 130.65 44.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.536 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.2 t -98.59 36.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.583 ' CE2' ' OE1' ' A' ' 60' ' ' GLN . 2.8 m-85 -112.2 147.77 35.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' GLU . 1.7 t -95.31 155.78 16.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' THR . 2.9 mp0 -34.83 -46.05 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -56.79 -68.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 54' ' ' LEU . 3.2 mm100 -49.57 -48.64 48.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.7 mt -56.52 -44.79 81.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttp -55.27 -43.27 74.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.81 -39.3 34.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.585 ' HB3' ' CH2' ' A' ' 64' ' ' TRP . 12.6 mt -62.24 -48.68 78.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -33.06 72.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -66.78 -52.08 48.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.642 ' HG3' HD13 ' A' ' 50' ' ' LEU . 75.6 mmt-85 -63.76 -61.66 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 4.4 t80 -44.05 -52.51 7.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -49.03 -51.98 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.91 -60.21 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -106.85 105.6 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.468 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 28.6 mmtm -49.01 -35.2 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 40' ' ' LYS . 1.4 m-85 -147.63 118.52 7.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.669 HD12 HG11 ' A' ' 61' ' ' VAL . 2.3 mt -76.05 158.25 32.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 m -76.91 -176.18 3.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.518 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -57.24 -59.11 13.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.102 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.518 ' N ' HG22 ' A' ' 44' ' ' THR . 54.3 Cg_endo -69.72 -42.35 3.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.363 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 48.3 t0 -43.52 -59.46 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -44.6 -36.8 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.23 -61.28 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -40.78 -40.01 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD13 ' HG3' ' A' ' 35' ' ' ARG . 11.6 tp -74.52 -57.23 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.21 -19.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -89.11 -31.75 17.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 p -67.11 -48.51 67.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.441 ' HB3' ' NE2' ' A' ' 28' ' ' GLN . 17.2 mt -87.97 -26.04 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.883 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.55 23.84 20.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.71 HD22 ' OE1' ' A' ' 60' ' ' GLN . 13.8 mt -90.71 179.14 5.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLN . 23.4 t -103.54 133.2 48.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' SER . 44.0 mt-30 -34.21 -46.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 60' ' ' GLN . 49.9 tp -50.8 -53.67 30.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.71 ' OE1' HD22 ' A' ' 56' ' ' LEU . 42.7 mt-30 -37.66 -67.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.843 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.9 t -49.43 -40.49 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -60.01 -60.78 3.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.405 HG22 ' ND2' ' A' ' 67' ' ' ASN . 27.6 m -67.2 -60.65 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.585 ' CH2' ' HB3' ' A' ' 32' ' ' LEU . 46.2 t90 -37.91 -48.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.843 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.8 m-85 -55.84 -65.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -43.24 -52.72 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.405 ' ND2' HG22 ' A' ' 63' ' ' THR . 93.0 m-20 -56.32 -44.95 80.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -57.81 -38.22 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.0 mtm180 -50.18 -48.34 54.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 23.4 mmt -42.35 -58.92 2.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -64.8 -39.41 93.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -57.12 -37.01 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -51.92 121.27 6.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -53.16 11.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.2 p -112.21 173.95 6.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.05 -158.28 7.58 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -3.48 12.07 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.3 p -43.25 107.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.2 t -75.07 161.32 29.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.491 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -149.34 155.98 41.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.353 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -132.47 -60.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.3 -100.32 1.98 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.537 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t 66.42 44.12 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 m -103.97 168.53 9.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -179.87 28.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.63 129.58 2.04 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -127.64 78.02 75.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.44 67.88 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 2.281 . . . . 0.0 112.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.68 123.99 6.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.444 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 14' ' ' ALA . 34.0 p -129.98 121.12 25.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 0.0 111.185 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 14' ' ' ALA . 0.0 OUTLIER -38.45 -26.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 12' ' ' THR . . . 34.94 50.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -113.11 46.31 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -46.06 -49.62 16.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.22 -178.23 33.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -120.16 95.61 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 110.881 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -166.35 122.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.2 p -174.81 112.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -88.41 103.94 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.6 t -174.85 150.68 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.4 m -143.14 135.23 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -98.88 156.24 16.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.8 p -94.89 157.68 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -44.1 -40.53 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.94 -52.6 41.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -55.82 -44.94 78.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 mt -65.5 -40.66 93.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.3 ttp -61.72 -38.35 87.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.78 -51.46 5.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 56' ' ' LEU . 22.3 mt -49.8 -34.42 19.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -75.86 -30.46 58.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -74.88 -32.98 61.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.793 ' HG3' HD13 ' A' ' 50' ' ' LEU . 11.9 mmt180 -82.2 -42.57 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.9 t80 -63.02 -55.46 25.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 6.7 pt-20 -46.36 -49.68 17.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 37' ' ' GLU . 28.0 mttm -70.36 -61.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -99.91 94.35 6.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 41' ' ' TYR . 17.9 mmtm -44.48 -30.34 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 40' ' ' LYS . 1.4 m-85 -149.33 113.41 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.828 HD12 HG11 ' A' ' 61' ' ' VAL . 14.3 mt -73.7 121.57 20.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.2 m -49.23 173.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -49.99 -59.12 7.54 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.579 0.704 . . . . 0.0 111.116 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.517 ' N ' HG22 ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.73 -38.08 8.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.695 2.263 . . . . 0.0 112.351 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -56.05 -48.6 75.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 55.0 ttp180 -55.59 -42.41 74.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -65.49 -62.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -39.71 -43.39 1.38 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.793 HD13 ' HG3' ' A' ' 35' ' ' ARG . 15.8 tp -67.81 -55.49 12.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.846 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -50.03 -18.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -89.82 -32.31 16.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.9 m -76.63 -43.95 36.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.526 ' CD1' HD11 ' A' ' 50' ' ' LEU . 77.0 mt -83.89 -25.13 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.77 11.56 49.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.846 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 58.2 mt -94.28 176.83 6.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.849 0.356 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.745 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 74.4 m -105.93 172.73 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -65.12 -19.08 65.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.7 tp -75.57 -55.63 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.745 ' NE2' ' H ' ' A' ' 57' ' ' SER . 2.3 mp0 -40.4 -62.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.828 HG11 HD12 ' A' ' 42' ' ' LEU . 26.3 t -55.08 -52.38 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -50.05 -65.63 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.2 m -59.3 -62.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.551 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 17.4 t90 -39.66 -49.76 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.704 ' CE1' HG13 ' A' ' 61' ' ' VAL . 3.8 m-85 -55.66 -58.23 8.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -41.57 -48.73 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -67.28 -47.55 70.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.542 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 2.9 mmp_? -49.33 -31.4 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.435 ' HD3' ' CE2' ' A' ' 41' ' ' TYR . 73.4 mtm180 -72.3 -42.1 65.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 mmt -47.53 -32.22 5.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -94.34 -50.09 5.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' LYS . 7.7 t90 -49.91 -50.18 47.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' TRP . 11.9 ttmt -34.05 132.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -115.06 106.15 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.6 t -148.67 131.07 15.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.11 -95.0 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 139.16 39.29 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.2 t -86.64 80.46 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.3 p 43.04 36.98 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 t -146.96 115.64 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -126.55 174.63 8.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.47 -150.11 7.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -172.07 175.38 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -165.68 176.88 7.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.3 -160.59 9.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 134.35 129.24 2.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -151.94 146.71 18.9 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.643 0.735 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -178.72 2.49 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.8 -146.97 6.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.2 p -143.67 114.06 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttm -171.98 115.81 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.58 111.68 24.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 143.05 49.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -107.45 83.29 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 39.46 84.46 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -54.75 106.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.751 0.31 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -67.49 95.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 16.9 p -120.87 -178.78 3.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -116.0 43.78 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.801 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.2 p -80.08 118.52 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 95.6 t -125.67 133.87 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -109.26 158.48 17.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' LEU . 23.1 p -103.73 146.27 28.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 25' ' ' THR . 13.2 mt-10 -34.86 -34.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 25' ' ' THR . 6.2 tt -71.1 -57.99 3.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.468 ' HB3' HD11 ' A' ' 56' ' ' LEU . 93.5 mt-30 -54.6 -46.47 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.14 -42.01 97.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.2 ttp -50.84 -39.59 53.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.928 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.44 -46.46 7.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 56' ' ' LEU . 62.3 mt -55.87 -47.46 77.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -64.0 -44.59 92.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -57.16 -55.48 34.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -62.19 -54.44 40.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 3.6 t80 -48.84 -45.06 40.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.46 -54.2 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 mmtp -55.54 -58.45 7.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 41' ' ' TYR . 6.3 tt0 -120.11 104.54 10.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 39' ' ' GLN . 42.0 mmtt -37.71 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.476 ' N ' ' O ' ' A' ' 39' ' ' GLN . 26.5 m-85 -132.43 -176.18 4.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.686 HD12 HG11 ' A' ' 61' ' ' VAL . 44.6 mt -143.5 140.7 30.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.453 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 14.7 m -68.29 165.44 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -47.94 -59.13 6.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.606 0.717 . . . . 0.0 111.18 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.511 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.69 -21.98 33.03 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HB2' ' N ' ' A' ' 43' ' ' SER . 2.2 m-20 -65.81 -50.11 65.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 62' ' ' LYS . 44.0 ttp180 -62.43 -37.24 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.0 mt -70.64 -44.22 76.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.66 -38.61 89.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.5 tp -72.62 -55.11 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -50.42 -30.39 12.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.43 -31.35 53.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.8 t -73.98 -47.98 33.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.02 -22.99 36.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.39 33.08 14.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD11 ' HB3' ' A' ' 28' ' ' GLN . 85.7 mt -106.35 177.04 4.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.865 0.364 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 59' ' ' LEU . 63.0 m -100.49 130.91 46.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' SER . 16.8 mt-30 -36.4 -31.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 57' ' ' SER . 46.0 tp -65.21 -48.6 72.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.491 ' O ' ' CB ' ' A' ' 64' ' ' TRP . 15.2 mm-40 -42.96 -59.26 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.802 HG13 ' CE1' ' A' ' 65' ' ' TYR . 62.6 t -55.34 -50.33 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.41 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . 4.9 tmtm? -50.84 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.779 HG22 ' ND2' ' A' ' 67' ' ' ASN . 31.5 m -64.06 -60.55 3.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.491 ' CB ' ' O ' ' A' ' 60' ' ' GLN . 74.7 t90 -37.83 -47.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.802 ' CE1' HG13 ' A' ' 61' ' ' VAL . 5.2 m-85 -59.06 -56.22 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -49.92 -46.64 52.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.779 ' ND2' HG22 ' A' ' 63' ' ' THR . 71.2 m-80 -62.85 -17.32 61.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 36' ' ' PHE . 5.9 mmm180 -92.78 -51.99 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 69' ' ' ARG . 10.0 mtp-105 -53.39 -36.14 61.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 4.3 ptt? -59.94 -45.14 93.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 70' ' ' MET . 53.0 tttt -79.01 -22.16 45.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -77.23 -42.03 38.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -51.67 118.39 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -57.39 -49.71 75.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 t -90.88 55.28 2.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -96.83 144.59 17.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -10.32 28.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.346 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -85.46 129.22 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 87.3 p -102.12 166.01 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -174.71 159.85 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.853 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -153.39 177.89 10.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.36 162.73 11.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -147.24 155.46 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -168.61 163.28 12.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.4 166.96 34.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.59 -114.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 33.8 mt-10 45.38 53.59 12.34 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 9' ' ' GLU . 53.2 Cg_endo -69.78 -168.52 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.7 2.267 . . . . 0.0 112.333 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -104.64 170.17 17.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -173.87 149.45 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 111.146 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -141.45 162.17 36.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.27 178.36 2.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.57 174.28 6.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -100.4 142.94 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.83 -139.26 10.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -169.7 -178.5 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -109.38 150.06 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.5 p -166.65 178.61 5.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -98.0 -50.25 4.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 t -52.72 155.48 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.29 13.37 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.625 ' CE1' HD11 ' A' ' 32' ' ' LEU . 62.9 m-85 -83.7 134.78 34.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLU . 80.8 p -76.37 148.22 37.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.09 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' THR . 16.6 mt-10 -37.28 -41.72 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -67.64 -51.4 50.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.545 ' OE1' HD11 ' A' ' 56' ' ' LEU . 32.0 mm-40 -56.29 -48.58 76.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.5 mt -59.67 -42.61 93.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 18.9 ttp -58.25 -45.25 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.78 -53.31 9.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD11 ' CE1' ' A' ' 24' ' ' PHE . 16.1 mt -45.48 -49.39 13.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.929 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.3 -40.48 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -51.69 -53.49 38.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' LYS . 0.9 OUTLIER -67.54 -66.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.468 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.8 t80 -37.74 -42.92 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.66 -44.34 86.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ARG . 34.9 mttm -63.95 -47.35 80.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' LYS . 8.5 tt0 -132.97 102.45 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' GLN . 28.2 mmtm -34.53 -42.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -126.0 158.66 34.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.565 HD11 ' OH ' ' A' ' 65' ' ' TYR . 77.2 mt -123.6 129.11 50.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 m -56.88 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.508 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -61.74 -59.09 14.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.7 Cg_endo -69.81 -35.02 13.25 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -57.36 -57.03 14.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 21.0 ttm105 -52.95 -34.08 53.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.436 HG12 ' CD ' ' A' ' 58' ' ' GLN . 88.5 mt -70.22 -56.79 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -44.24 -46.85 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.7 tp -64.02 -59.17 4.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -43.01 -27.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -82.48 -34.86 27.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 50' ' ' LEU . 2.0 t -61.6 -46.98 87.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.3 mt -92.05 -27.48 17.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.27 37.24 5.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.545 HD11 ' OE1' ' A' ' 28' ' ' GLN . 98.8 mt -103.82 175.14 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 58' ' ' GLN . 14.3 t -95.28 129.74 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 57' ' ' SER . 50.4 mt-30 -34.38 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 55.3 tp -55.77 -51.81 66.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' SER . 13.9 mm-40 -39.05 -63.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.79 HG13 ' CE1' ' A' ' 65' ' ' TYR . 66.2 t -49.77 -48.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -53.53 -63.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.8 m -62.49 -62.97 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 30.5 t90 -37.84 -47.78 1.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.79 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -56.76 -57.47 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -48.2 -57.69 5.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.08 -41.11 74.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 4.1 mmm180 -57.76 -43.79 85.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 69' ' ' ARG . 14.7 mtp-105 -49.57 -57.78 6.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 69' ' ' ARG . 2.6 mmt -36.32 -61.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.8 tmtm? -59.75 -45.53 91.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -50.96 -48.86 60.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -43.99 -46.72 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -94.55 127.49 40.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.92 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.0 t -144.83 161.22 39.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.835 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 151.62 -158.2 27.62 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 95.45 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.727 2.285 . . . . 0.0 112.317 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -93.51 179.93 5.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 99.0 p -86.53 163.43 17.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -41.66 160.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.3 t -115.29 -61.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 175.81 -50.75 0.12 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.474 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.0 t -34.58 132.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -127.37 -56.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.58 -168.84 26.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.51 -164.76 13.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -118.28 144.21 34.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.653 0.739 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -174.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.85 93.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.7 m -51.09 137.62 21.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 142.38 16.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.09 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -168.29 136.56 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -156.95 115.95 3.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.24 -163.11 32.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? 69.03 53.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -144.76 149.71 35.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 m 44.31 45.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ttm105 -54.93 125.51 20.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 p -121.76 138.68 54.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.1 t -109.73 129.73 64.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -107.36 169.12 8.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.1 p -100.41 166.44 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -59.45 -35.93 75.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tp -71.21 -59.01 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -52.72 -44.31 66.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.58 -42.35 98.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 23.4 ttp -52.41 -44.77 65.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.82 -47.83 13.55 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' HB3' ' CZ3' ' A' ' 64' ' ' TRP . 21.0 mt -51.27 -47.14 62.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.931 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -62.56 -38.57 90.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -64.57 -41.58 96.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -73.75 -43.5 58.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.48 ' C ' ' CD1' ' A' ' 36' ' ' PHE . 3.6 t80 -64.78 -43.72 92.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 6.8 pt-20 -66.11 -43.38 87.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 51.5 mmtt -65.25 -43.43 91.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.9 tt0 -134.97 103.31 5.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' GLN . 21.6 mmtt -35.92 -39.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 1.7 m-85 -127.9 169.38 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.7 HD12 HG11 ' A' ' 61' ' ' VAL . 57.3 mt -131.31 130.34 42.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.8 m -64.47 176.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.522 HG22 ' N ' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -54.62 -59.04 11.47 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 44' ' ' THR . 54.0 Cg_endo -69.78 -28.46 25.16 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.689 2.26 . . . . 0.0 112.342 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -59.61 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 47' ' ' ARG . 20.9 ttm105 -52.7 -44.29 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.459 HG12 ' NE2' ' A' ' 58' ' ' GLN . 59.0 mt -61.33 -57.83 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -43.41 -50.12 6.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.0 tp -59.96 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.526 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -38.58 -31.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -79.74 -47.09 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.4 t -50.62 -51.42 48.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 63.8 mt -85.13 -21.1 29.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.34 -6.44 55.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.526 ' O ' ' HB1' ' A' ' 51' ' ' ALA . 59.5 mt -68.17 175.89 2.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.796 0.331 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLN . 4.6 m -109.37 145.43 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.459 ' NE2' HG12 ' A' ' 48' ' ' ILE . 37.8 mt-30 -36.98 -43.48 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 60' ' ' GLN . 11.3 tp -52.76 -56.98 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 59' ' ' LEU . 10.0 mm-40 -35.5 -59.94 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG11 HD12 ' A' ' 42' ' ' LEU . 85.7 t -55.33 -54.99 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -47.14 -61.93 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' TRP . 34.4 m -63.57 -63.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.506 ' CZ3' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t90 -37.9 -48.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.633 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.4 m-85 -58.99 -65.76 0.61 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' TYR . 36.0 tt0 -36.03 -48.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -68.26 -59.48 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -42.45 -50.62 5.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' MET . 53.2 mtm-85 -39.53 -58.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.478 ' HA ' ' CG ' ' A' ' 73' ' ' LYS . 7.3 mmt -35.15 -49.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -57.7 -50.11 74.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -61.33 -42.11 98.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 70' ' ' MET . 17.1 ptmt -82.23 169.39 16.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.1 tttt 43.05 38.19 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.2 m -139.55 106.56 5.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.67 -84.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -10.75 29.28 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.608 2.206 . . . . 0.0 112.321 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.4 t 42.7 42.24 2.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 t -109.25 90.01 3.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -133.26 177.18 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 p -143.19 176.85 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.7 152.12 6.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -167.24 130.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -157.42 135.59 11.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.93 167.51 19.74 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.423 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 149.83 121.44 1.08 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -125.1 142.4 41.21 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.629 0.728 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 159.77 52.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.08 131.72 1.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.62 ' O ' HG23 ' A' ' 12' ' ' THR . 8.9 t -158.32 107.44 2.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 111.13 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.9 mtmm -119.33 126.92 52.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.41 108.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -121.29 158.46 28.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -88.21 -55.31 3.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 58.51 -99.36 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.508 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 19' ' ' ARG . 16.5 tpt180 -128.15 152.24 48.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.891 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 64.5 ttt180 -69.65 -50.84 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 t -171.98 152.51 2.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -88.32 -49.23 7.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -110.49 162.84 14.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 1.2 m -95.86 11.85 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.661 ' CZ ' ' NE2' ' A' ' 60' ' ' GLN . 63.2 m-85 -83.26 138.59 33.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.0 p -83.62 145.23 28.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -39.43 -36.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -67.78 -51.04 53.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.624 ' CD ' HD21 ' A' ' 56' ' ' LEU . 96.9 mt-30 -59.7 -46.62 88.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.0 mt -59.29 -41.7 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 32.0 ttp -51.5 -44.06 62.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.68 -54.2 6.09 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD11 HD13 ' A' ' 56' ' ' LEU . 24.6 mt -49.11 -45.02 42.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.79 0.329 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -67.97 -40.9 83.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -59.22 -48.19 82.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HG3' HD13 ' A' ' 50' ' ' LEU . 8.6 mmt180 -66.58 -51.78 52.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 36' ' ' PHE . 4.3 t80 -55.95 -55.86 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 38' ' ' LYS . 4.0 pt-20 -49.46 -31.16 9.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.48 ' N ' ' HG3' ' A' ' 37' ' ' GLU . 62.1 mmtt -82.09 -40.43 21.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.438 ' OE1' ' NH1' ' A' ' 35' ' ' ARG . 2.3 pt20 -140.27 125.36 18.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -60.38 -14.83 20.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.437 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 46.7 m-85 -149.26 -177.48 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD12 HG11 ' A' ' 61' ' ' VAL . 11.5 mt -151.18 145.13 25.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.4 m -58.56 -174.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 1.0 OUTLIER -68.04 -58.45 7.79 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.533 0.682 . . . . 0.0 111.113 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 44' ' ' THR . 53.4 Cg_endo -69.79 -14.7 36.36 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.64 2.227 . . . . 0.0 112.313 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' CG ' ' HB3' ' A' ' 42' ' ' LEU . 33.4 t0 -69.61 -57.1 5.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' NE ' ' HB3' ' A' ' 58' ' ' GLN . 51.8 ttp180 -51.48 -40.68 59.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.3 mt -68.43 -55.7 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -48.47 -49.3 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' SER . 8.0 tp -65.36 -64.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 56' ' ' LEU . . . -39.56 -30.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -77.14 -42.25 38.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 50' ' ' LEU . 50.6 m -59.41 -47.09 86.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 71.5 mt -83.4 -20.53 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.08 10.59 59.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.624 HD21 ' CD ' ' A' ' 28' ' ' GLN . 87.7 mt -88.79 175.28 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLN . 74.2 m -108.49 142.11 39.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' SER . 18.3 mt-30 -34.46 -41.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.4 tp -50.42 -54.06 24.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.661 ' NE2' ' CZ ' ' A' ' 24' ' ' PHE . 9.9 mm100 -42.61 -63.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.606 HG13 ' CE1' ' A' ' 65' ' ' TYR . 59.5 t -53.88 -55.65 12.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.01 -65.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.622 HG22 HD22 ' A' ' 67' ' ' ASN . 32.4 m -62.01 -62.39 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 68' ' ' ARG . 62.2 t90 -37.69 -46.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.606 ' CE1' HG13 ' A' ' 61' ' ' VAL . 4.6 m-85 -63.26 -61.74 2.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -47.39 -43.88 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.622 HD22 HG22 ' A' ' 63' ' ' THR . 20.8 m-20 -67.93 -22.62 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 64' ' ' TRP . 7.7 mmm180 -85.01 -57.17 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 72' ' ' TRP . 12.4 mtp-105 -44.4 -57.34 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.481 ' HG3' ' N ' ' A' ' 71' ' ' LYS . 6.5 ptp -38.54 -50.26 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 70' ' ' MET . 4.5 tmtm? -69.29 -31.25 69.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' ARG . 9.7 t90 -67.87 -53.51 26.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -55.23 -35.35 64.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -102.36 82.24 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t -97.77 112.27 24.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -84.02 152.35 28.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -29.64 23.49 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -87.77 105.84 17.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.5 p -131.79 152.74 50.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.454 -179.954 . . . . . . . . 0 0 . 1 stop_ save_